2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine

C9H15ClN4 — CID 137483617

IUPAC2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine
SMILESCC[C@@H](C)CNc1cc(N)nc(Cl)n1
InChIInChI=1S/C9H15ClN4/c1-3-6(2)5-12-8-4-7(11)13-9(10)14-8/h4,6H,3,5H2,1-2H3,(H3,11,12,13,14)/t6-/m1/s1
InChIKeyBZKPKBQKGLWJIM-ZCFIWIBFSA-N
MW214.70 g/mol
LogP2.17
Rot. Bonds4

About 2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine

2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine (PubChem CID 137483617) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine
PubChem CID137483617
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine
SMILESCC[C@@H](C)CNc1cc(N)nc(Cl)n1
InChIInChI=1S/C9H15ClN4/c1-3-6(2)5-12-8-4-7(11)13-9(10)14-8/h4,6H,3,5H2,1-2H3,(H3,11,12,13,14)/t6-/m1/s1
InChIKeyBZKPKBQKGLWJIM-ZCFIWIBFSA-N
XLogP2.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Adriforant
CID 24745335
N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
2,4-Diamino-6-piperidinopyrimidine
CID 606255
n4-Butyl-6-chloropyrimidine-2,4-diamine
CID 229862
6-Chloro-N~4~,N~4~-diethylpyrimidine-2,4-diamine
CID 1484287
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
4-N-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 16202258
(R)-N4-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 24745337
(R)-N2-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54581940
4-N-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 21749035
N4-(3,3-dimethylbutyl)-6-(3-(methylamino)azetidin-1-yl)pyrimidine-2,4-diamine
CID 24745506
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 44126357

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine (CID 137483617) is 2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine is CC[C@@H](C)CNc1cc(N)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine?
The InChIKey is BZKPKBQKGLWJIM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-3-6(2)5-12-8-4-7(11)13-9(10)14-8/h4,6H,3,5H2,1-2H3,(H3,11,12,13,14)/t6-/m1/s1.
What are the key properties of 2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine?
2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine has a molecular weight of 214.70 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 137483617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).