2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine

C20H35ClF2N12O2 — CID 159786969

IUPAC2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine
SMILESFc1cnc(Cl)nc1NCCN1CCOCC1.NN.NNc1ncc(F)c(NCCN2CCOCC2)n1
InChIInChI=1S/C10H14ClFN4O.C10H17FN6O.H4N2/c11-10-14-7-8(12)9(15-10)13-1-2-16-3-5-17-6-4-16;11-8-7-14-10(16-12)15-9(8)13-1-2-17-3-5-18-6-4-17;1-2/h7H,1-6H2,(H,13,14,15);7H,1-6,12H2,(H2,13,14,15,16);1-2H2
InChIKeyNIBNFFYHKVCUQO-UHFFFAOYSA-N
MW549.03 g/mol
LogP-0.52
Rot. Bonds9

About 2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine

2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine (PubChem CID 159786969) has the molecular formula C20H35ClF2N12O2 and a molecular weight of 549.03 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine
PubChem CID159786969
Molecular FormulaC20H35ClF2N12O2
Molecular Weight549.03 g/mol
Exact Mass548.27
IUPAC Name2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine
SMILESFc1cnc(Cl)nc1NCCN1CCOCC1.NN.NNc1ncc(F)c(NCCN2CCOCC2)n1
InChIInChI=1S/C10H14ClFN4O.C10H17FN6O.H4N2/c11-10-14-7-8(12)9(15-10)13-1-2-16-3-5-17-6-4-16;11-8-7-14-10(16-12)15-9(8)13-1-2-17-3-5-18-6-4-17;1-2/h7H,1-6H2,(H,13,14,15);7H,1-6,12H2,(H2,13,14,15,16);1-2H2
InChIKeyNIBNFFYHKVCUQO-UHFFFAOYSA-N
XLogP-0.52
TPSA190.65 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500549.03
LogP ≤ 5-0.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-2-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80914697
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80777687
5-bromo-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80776953
5-fluoro-2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80914648
N-[2-(3,5-difluorophenyl)ethyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80919063
2-N-(3,4-dichlorophenyl)-4-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 21080474
6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58345954
3,5-dichloro-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-diamine
CID 102755704
N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine
CID 106196178
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine?
The IUPAC name of 2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine (CID 159786969) is 2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine?
The canonical SMILES for 2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine is Fc1cnc(Cl)nc1NCCN1CCOCC1.NN.NNc1ncc(F)c(NCCN2CCOCC2)n1.
What is the InChIKey of 2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine?
The InChIKey is NIBNFFYHKVCUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN4O.C10H17FN6O.H4N2/c11-10-14-7-8(12)9(15-10)13-1-2-16-3-5-17-6-4-16;11-8-7-14-10(16-12)15-9(8)13-1-2-17-3-5-18-6-4-17;1-2/h7H,1-6H2,(H,13,14,15);7H,1-6,12H2,(H2,13,14,15,16);1-2H2.
What are the key properties of 2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine?
2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine has a molecular weight of 549.03 g/mol, XLogP of -0.52, 9 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;5-fluoro-2-hydrazinyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine;hydrazine is sourced from PubChem (CID 159786969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).