6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine

C20H25N7 — CID 124940637

IUPAC6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1cccnc1Nc1cc(C[C@@H]2CCCN(Cc3ncc[nH]3)C2)ncn1
InChIInChI=1S/C20H25N7/c1-15-4-2-6-23-20(15)26-18-11-17(24-14-25-18)10-16-5-3-9-27(12-16)13-19-21-7-8-22-19/h2,4,6-8,11,14,16H,3,5,9-10,12-13H2,1H3,(H,21,22)(H,23,24,25,26)/t16-/m0/s1
InChIKeyAHQSNGCVJYHPTH-INIZCTEOSA-N
MW363.47 g/mol
LogP3.10
Rot. Bonds6

About 6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine

6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 124940637) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine
PubChem CID124940637
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1cccnc1Nc1cc(C[C@@H]2CCCN(Cc3ncc[nH]3)C2)ncn1
InChIInChI=1S/C20H25N7/c1-15-4-2-6-23-20(15)26-18-11-17(24-14-25-18)10-16-5-3-9-27(12-16)13-19-21-7-8-22-19/h2,4,6-8,11,14,16H,3,5,9-10,12-13H2,1H3,(H,21,22)(H,23,24,25,26)/t16-/m0/s1
InChIKeyAHQSNGCVJYHPTH-INIZCTEOSA-N
XLogP3.10
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 110270079
1-[3-[[6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 132764396
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine
CID 110095075
(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine
CID 42529056
(E)-3-(1-methylpyrazol-4-yl)-1-[3-[[6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 132766486
(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine
CID 158336198
N-[6-[(2R)-4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 125018681
N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 124965942
3-(1-methylpyrazol-4-yl)-1-[4-[[6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 171147335
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
CID 175654795
4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 155983321
1-(1H-imidazol-2-ylmethyl)-4-phenyl-6-(pyridin-2-ylmethyl)-1,4-diazepane
CID 110264524

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine (CID 124940637) is 6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine is Cc1cccnc1Nc1cc(C[C@@H]2CCCN(Cc3ncc[nH]3)C2)ncn1.
What is the InChIKey of 6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is AHQSNGCVJYHPTH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N7/c1-15-4-2-6-23-20(15)26-18-11-17(24-14-25-18)10-16-5-3-9-27(12-16)13-19-21-7-8-22-19/h2,4,6-8,11,14,16H,3,5,9-10,12-13H2,1H3,(H,21,22)(H,23,24,25,26)/t16-/m0/s1.
What are the key properties of 6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine?
6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 363.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 124940637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).