N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine

C9H13ClN4 — CID 105370003

IUPACN-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine
SMILESNCC(Nc1ncncc1Cl)C1CC1
InChIInChI=1S/C9H13ClN4/c10-7-4-12-5-13-9(7)14-8(3-11)6-1-2-6/h4-6,8H,1-3,11H2,(H,12,13,14)
InChIKeyOXPMJBSWGVZBHH-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.28
Rot. Bonds4

About N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine

N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine (PubChem CID 105370003) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine
PubChem CID105370003
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC NameN-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine
SMILESNCC(Nc1ncncc1Cl)C1CC1
InChIInChI=1S/C9H13ClN4/c10-7-4-12-5-13-9(7)14-8(3-11)6-1-2-6/h4-6,8H,1-3,11H2,(H,12,13,14)
InChIKeyOXPMJBSWGVZBHH-UHFFFAOYSA-N
XLogP1.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-(5-iodopyrimidin-4-yl)ethane-1,2-diamine
CID 115309628
N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine
CID 103582869
1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 65189090
5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine
CID 105369165
N-[2-(aminomethyl)cyclopentyl]-5-chloropyrimidin-4-amine
CID 105370016
2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine
CID 130751690
1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 106738090
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
CID 106155271
5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369448
5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369462
5-chloro-N-[(4-chlorocyclohexyl)methyl]pyrimidin-4-amine
CID 106126003
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine?
The IUPAC name of N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine (CID 105370003) is N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine?
The canonical SMILES for N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine is NCC(Nc1ncncc1Cl)C1CC1.
What is the InChIKey of N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine?
The InChIKey is OXPMJBSWGVZBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-7-4-12-5-13-9(7)14-8(3-11)6-1-2-6/h4-6,8H,1-3,11H2,(H,12,13,14).
What are the key properties of N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine?
N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine has a molecular weight of 212.68 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 105370003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).