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

C7H11ClN4 — CID 105369964

IUPAC1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
SMILESCC(N)CNc1ncncc1Cl
InChIInChI=1S/C7H11ClN4/c1-5(9)2-11-7-6(8)3-10-4-12-7/h3-5H,2,9H2,1H3,(H,10,11,12)
InChIKeyGCFSAQXBMBODEJ-UHFFFAOYSA-N
MW186.65 g/mol
LogP0.89
Rot. Bonds3

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

1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine (PubChem CID 105369964) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
PubChem CID105369964
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
SMILESCC(N)CNc1ncncc1Cl
InChIInChI=1S/C7H11ClN4/c1-5(9)2-11-7-6(8)3-10-4-12-7/h3-5H,2,9H2,1H3,(H,10,11,12)
InChIKeyGCFSAQXBMBODEJ-UHFFFAOYSA-N
XLogP0.89
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286982
5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine
CID 107156317
3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106170483
5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine
CID 102975966
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
CID 106155271
(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
CID 142991116
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine
CID 105369165
ethyl (2S,3R)-3-[(5-chloropyrimidin-4-yl)amino]-2-methylbutanoate
CID 100662469
N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine
CID 105368920
5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294327
N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
CID 105369876

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine (CID 105369964) is 1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine is CC(N)CNc1ncncc1Cl.
What is the InChIKey of 1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is GCFSAQXBMBODEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c1-5(9)2-11-7-6(8)3-10-4-12-7/h3-5H,2,9H2,1H3,(H,10,11,12).
What are the key properties of 1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine?
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 186.65 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 105369964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).