N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine

C19H24N8 — CID 124995485

IUPACN-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN(Cc3cnc[nH]3)C2)n1
InChIInChI=1S/C19H24N8/c1-13-8-14(2)25-19(24-13)26-18-17(21-5-6-22-18)15-4-3-7-27(10-15)11-16-9-20-12-23-16/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3,(H,20,23)(H,22,24,25,26)/t15-/m1/s1
InChIKeyQMNUQIIXDPSJSA-OAHLLOKOSA-N
MW364.46 g/mol
LogP2.73
Rot. Bonds5

About N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine

N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 124995485) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
PubChem CID124995485
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC NameN-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN(Cc3cnc[nH]3)C2)n1
InChIInChI=1S/C19H24N8/c1-13-8-14(2)25-19(24-13)26-18-17(21-5-6-22-18)15-4-3-7-27(10-15)11-16-9-20-12-23-16/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3,(H,20,23)(H,22,24,25,26)/t15-/m1/s1
InChIKeyQMNUQIIXDPSJSA-OAHLLOKOSA-N
XLogP2.73
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine with MolForge

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Related Compounds

6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 124961678
N-[4-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110111426
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 125026546
4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105773
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 124952532
N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 95844408
4,5-dimethyl-N-[3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 124969653
4,6-dimethyl-N-[3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]pyrimidin-2-amine
CID 95844426
5-methyl-N-[3-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 124987724
(2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine
CID 124944985
6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110090926
3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine
CID 124974464

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine (CID 124995485) is N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN(Cc3cnc[nH]3)C2)n1.
What is the InChIKey of N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is QMNUQIIXDPSJSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N8/c1-13-8-14(2)25-19(24-13)26-18-17(21-5-6-22-18)15-4-3-7-27(10-15)11-16-9-20-12-23-16/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3,(H,20,23)(H,22,24,25,26)/t15-/m1/s1.
What are the key properties of N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 364.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 124995485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).