4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine

C19H22N8 — CID 95842387

IUPAC4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cc(C)nc([C@H]3CCN(c4ncccn4)C3)n2)n1
InChIInChI=1S/C19H22N8/c1-12-9-13(2)24-18(23-12)26-16-10-14(3)22-17(25-16)15-5-8-27(11-15)19-20-6-4-7-21-19/h4,6-7,9-10,15H,5,8,11H2,1-3H3,(H,22,23,24,25,26)/t15-/m0/s1
InChIKeyFQTBFQKTEXTJFC-HNNXBMFYSA-N
MW362.44 g/mol
LogP2.72
Rot. Bonds4

About 4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine

4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 95842387) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID95842387
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cc(C)nc([C@H]3CCN(c4ncccn4)C3)n2)n1
InChIInChI=1S/C19H22N8/c1-12-9-13(2)24-18(23-12)26-16-10-14(3)22-17(25-16)15-5-8-27(11-15)19-20-6-4-7-21-19/h4,6-7,9-10,15H,5,8,11H2,1-3H3,(H,22,23,24,25,26)/t15-/m0/s1
InChIKeyFQTBFQKTEXTJFC-HNNXBMFYSA-N
XLogP2.72
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 95842295
cyclopentyl-[(3R)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95842373
2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269626
2-[(3R)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820195
2-[(3S)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820196
6-methyl-N-(3-methyl-2-pyridinyl)-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-4-amine
CID 95842210
6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 125027098
4,6-dimethyl-2-[(3R)-1-pyrimidin-5-ylpyrrolidin-3-yl]pyrimidine
CID 125014647
(3S)-N,N-dimethyl-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 95842363
2-[1-(4-fluorophenyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine
CID 110096160
1-[(2R)-2-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95842240
[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-2-yl]azetidin-1-yl]-pyridin-3-ylmethanone
CID 95842312

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine (CID 95842387) is 4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine is Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCN(c4ncccn4)C3)n2)n1.
What is the InChIKey of 4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is FQTBFQKTEXTJFC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N8/c1-12-9-13(2)24-18(23-12)26-16-10-14(3)22-17(25-16)15-5-8-27(11-15)19-20-6-4-7-21-19/h4,6-7,9-10,15H,5,8,11H2,1-3H3,(H,22,23,24,25,26)/t15-/m0/s1.
What are the key properties of 4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine?
4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 362.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 95842387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).