6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine

C16H19ClN4 — CID 97073918

IUPAC6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1
InChIInChI=1S/C16H19ClN4/c1-11-18-14(17)10-15(19-11)20-13-8-9-21(2)16(13)12-6-4-3-5-7-12/h3-7,10,13,16H,8-9H2,1-2H3,(H,18,19,20)/t13-,16-/m1/s1
InChIKeyCDCLRFAWJNZEKQ-CZUORRHYSA-N
MW302.81 g/mol
LogP3.30
Rot. Bonds3

About 6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine

6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 97073918) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID97073918
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1
InChIInChI=1S/C16H19ClN4/c1-11-18-14(17)10-15(19-11)20-13-8-9-21(2)16(13)12-6-4-3-5-7-12/h3-7,10,13,16H,8-9H2,1-2H3,(H,18,19,20)/t13-,16-/m1/s1
InChIKeyCDCLRFAWJNZEKQ-CZUORRHYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-methyl-N-(1-methyl-2-phenylpyrrolidin-3-yl)pyrimidin-4-amine
CID 133462105
6-chloro-2-methyl-N-(2-phenylcyclopropyl)pyrimidin-4-amine
CID 62481332
N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]pyrazin-2-amine
CID 100692874
2-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 124741038
4-N-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 100693081
N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 136545963
6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 97073350
N-(1-methyl-2-phenylpyrrolidin-3-yl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 119036114
N-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 124741006
6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine
CID 95781704
N-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 124840393
1-methyl-N-[(2-nitrophenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 119040628

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine (CID 97073918) is 6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine is Cc1nc(Cl)cc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1.
What is the InChIKey of 6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is CDCLRFAWJNZEKQ-CZUORRHYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-11-18-14(17)10-15(19-11)20-13-8-9-21(2)16(13)12-6-4-3-5-7-12/h3-7,10,13,16H,8-9H2,1-2H3,(H,18,19,20)/t13-,16-/m1/s1.
What are the key properties of 6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine?
6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 302.81 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 97073918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).