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

C19H24N8 — CID 124996634

IUPAC4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN2Cc2nccn2C)n1
InChIInChI=1S/C19H24N8/c1-13-11-14(2)24-19(23-13)25-18-17(21-6-7-22-18)15-5-4-9-27(15)12-16-20-8-10-26(16)3/h6-8,10-11,15H,4-5,9,12H2,1-3H3,(H,22,23,24,25)/t15-/m0/s1
InChIKeyQUPMQXQQWYDZOL-HNNXBMFYSA-N
MW364.46 g/mol
LogP2.70
Rot. Bonds5

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

4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine (PubChem CID 124996634) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
PubChem CID124996634
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN2Cc2nccn2C)n1
InChIInChI=1S/C19H24N8/c1-13-11-14(2)24-19(23-13)25-18-17(21-6-7-22-18)15-5-4-9-27(15)12-16-20-8-10-26(16)3/h6-8,10-11,15H,4-5,9,12H2,1-3H3,(H,22,23,24,25)/t15-/m0/s1
InChIKeyQUPMQXQQWYDZOL-HNNXBMFYSA-N
XLogP2.70
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine (CID 124996634) is 4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine is Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN2Cc2nccn2C)n1.
What is the InChIKey of 4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine?
The InChIKey is QUPMQXQQWYDZOL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N8/c1-13-11-14(2)24-19(23-13)25-18-17(21-6-7-22-18)15-5-4-9-27(15)12-16-20-8-10-26(16)3/h6-8,10-11,15H,4-5,9,12H2,1-3H3,(H,22,23,24,25)/t15-/m0/s1.
What are the key properties of 4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine?
4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine has a molecular weight of 364.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[3-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 124996634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).