2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine

C10H15ClN4 — CID 71641175

IUPAC2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)[C@H]2CCNC2)nc(Cl)n1
InChIInChI=1S/C10H15ClN4/c1-7-5-9(14-10(11)13-7)15(2)8-3-4-12-6-8/h5,8,12H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyOBWBVSBVOISOBC-QMMMGPOBSA-N
MW226.71 g/mol
LogP1.24
Rot. Bonds2

About 2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine

2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 71641175) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID71641175
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)[C@H]2CCNC2)nc(Cl)n1
InChIInChI=1S/C10H15ClN4/c1-7-5-9(14-10(11)13-7)15(2)8-3-4-12-6-8/h5,8,12H,3-4,6H2,1-2H3/t8-/m0/s1
InChIKeyOBWBVSBVOISOBC-QMMMGPOBSA-N
XLogP1.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 71640963
2-chloro-N-(1-ethylpiperidin-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 62481992
6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride
CID 71643140
N,4-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71640984
4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride
CID 71640856
N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 66183116
6-methoxy-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319644
2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71638529
2,6-dichloro-N-cyclopentyl-N-methylpyrimidin-4-amine
CID 130569686
N,4,5-trimethyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
CID 65168398
N-(2,4-dimethylphenyl)-N-methylpyrrolidin-3-amine
CID 78989080
2-chloro-4-methyl-6-pyrrolidin-3-yloxypyrimidine;hydrochloride
CID 71638580

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine (CID 71641175) is 2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine is Cc1cc(N(C)[C@H]2CCNC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is OBWBVSBVOISOBC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-5-9(14-10(11)13-7)15(2)8-3-4-12-6-8/h5,8,12H,3-4,6H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine?
2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 71641175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).