5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine

C10H16ClN5O — CID 80928877

IUPAC5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
SMILESCC1(CNc2nc(NN)ncc2Cl)CCCO1
InChIInChI=1S/C10H16ClN5O/c1-10(3-2-4-17-10)6-14-8-7(11)5-13-9(15-8)16-12/h5H,2-4,6,12H2,1H3,(H2,13,14,15,16)
InChIKeyJXGLKGXNPRXLSF-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.40
Rot. Bonds4

About 5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine

5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80928877) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
PubChem CID80928877
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
SMILESCC1(CNc2nc(NN)ncc2Cl)CCCO1
InChIInChI=1S/C10H16ClN5O/c1-10(3-2-4-17-10)6-14-8-7(11)5-13-9(15-8)16-12/h5H,2-4,6,12H2,1H3,(H2,13,14,15,16)
InChIKeyJXGLKGXNPRXLSF-UHFFFAOYSA-N
XLogP1.40
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.40
H-Bond Donors ≤ 53
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

2-hydrazinyl-5-methyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80928984
5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
CID 80854676
1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915223
2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
CID 80854891
5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine
CID 104767567
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913327
4-hydrazinyl-6-methoxy-N-[(2-methyloxolan-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80929199
5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
4-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80929061
2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785663
1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80915615

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine (CID 80928877) is 5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine is CC1(CNc2nc(NN)ncc2Cl)CCCO1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is JXGLKGXNPRXLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-10(3-2-4-17-10)6-14-8-7(11)5-13-9(15-8)16-12/h5H,2-4,6,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine?
5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 257.72 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80928877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).