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

C10H19ClN4 — CID 145372300

IUPAC1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane
SMILESCC(N)CNc1ccnc(Cl)n1.CCC
InChIInChI=1S/C7H11ClN4.C3H8/c1-5(9)4-11-6-2-3-10-7(8)12-6;1-3-2/h2-3,5H,4,9H2,1H3,(H,10,11,12);3H2,1-2H3
InChIKeyTZOCNKMBSLVOKL-UHFFFAOYSA-N
MW230.74 g/mol
LogP2.31
Rot. Bonds3

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

1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane (PubChem CID 145372300) has the molecular formula C10H19ClN4 and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane.

Molecular Properties

Compound Name1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane
PubChem CID145372300
Molecular FormulaC10H19ClN4
Molecular Weight230.74 g/mol
Exact Mass230.13
IUPAC Name1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane
SMILESCC(N)CNc1ccnc(Cl)n1.CCC
InChIInChI=1S/C7H11ClN4.C3H8/c1-5(9)4-11-6-2-3-10-7(8)12-6;1-3-2/h2-3,5H,4,9H2,1H3,(H,10,11,12);3H2,1-2H3
InChIKeyTZOCNKMBSLVOKL-UHFFFAOYSA-N
XLogP2.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 115695381
4-(2-aminopropylamino)pyrimidine-2-carbonitrile
CID 130587580
2-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
CID 62342670
1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 130162610
(3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine
CID 130469662
(1S)-2-[(2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 87737078
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
N-but-2-ynyl-2-chloropyrimidin-4-amine
CID 103918065
ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate
CID 62342073
(2R)-1-N-pyridin-2-ylpropane-1,2-diamine
CID 71346823

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane?
The IUPAC name of 1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane (CID 145372300) is 1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane.
What is the SMILES notation for 1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane?
The canonical SMILES for 1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane is CC(N)CNc1ccnc(Cl)n1.CCC.
What is the InChIKey of 1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane?
The InChIKey is TZOCNKMBSLVOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4.C3H8/c1-5(9)4-11-6-2-3-10-7(8)12-6;1-3-2/h2-3,5H,4,9H2,1H3,(H,10,11,12);3H2,1-2H3.
What are the key properties of 1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane?
1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane has a molecular weight of 230.74 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane is sourced from PubChem (CID 145372300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).