5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

C11H19ClN6 — CID 80914641

IUPAC5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESCN(CCN1CCCC1)c1nc(NN)ncc1Cl
InChIInChI=1S/C11H19ClN6/c1-17(6-7-18-4-2-3-5-18)10-9(12)8-14-11(15-10)16-13/h8H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyNCMUTHJSANWWAA-UHFFFAOYSA-N
MW270.77 g/mol
LogP0.95
Rot. Bonds5

About 5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (PubChem CID 80914641) has the molecular formula C11H19ClN6 and a molecular weight of 270.77 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
PubChem CID80914641
Molecular FormulaC11H19ClN6
Molecular Weight270.77 g/mol
Exact Mass270.14
IUPAC Name5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESCN(CCN1CCCC1)c1nc(NN)ncc1Cl
InChIInChI=1S/C11H19ClN6/c1-17(6-7-18-4-2-3-5-18)10-9(12)8-14-11(15-10)16-13/h8H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyNCMUTHJSANWWAA-UHFFFAOYSA-N
XLogP0.95
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80829025
5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80828144
5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 80913814
5-chloro-2-hydrazinyl-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80932166
5-chloro-N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80896298
5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80898727
5-chloro-N-cyclohexyl-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80927595
5-chloro-2-hydrazinyl-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 80909109
2-N,4-N,6-trimethyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327610
6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 78926170
[4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 80932155
5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845870

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (CID 80914641) is 5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is CN(CCN1CCCC1)c1nc(NN)ncc1Cl.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The InChIKey is NCMUTHJSANWWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6/c1-17(6-7-18-4-2-3-5-18)10-9(12)8-14-11(15-10)16-13/h8H,2-7,13H2,1H3,(H,14,15,16).
What are the key properties of 5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine has a molecular weight of 270.77 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80914641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).