4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine

C17H24N6 — CID 96575726

IUPAC4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC[C@@H](c3nccn3CC3CC3)C2)nc(N)n1
InChIInChI=1S/C17H24N6/c1-12-9-15(21-17(18)20-12)22-7-2-3-14(11-22)16-19-6-8-23(16)10-13-4-5-13/h6,8-9,13-14H,2-5,7,10-11H2,1H3,(H2,18,20,21)/t14-/m1/s1
InChIKeyDLTKUCCBHOMVAV-CQSZACIVSA-N
MW312.42 g/mol
LogP2.36
Rot. Bonds4

About 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine

4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 96575726) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID96575726
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC[C@@H](c3nccn3CC3CC3)C2)nc(N)n1
InChIInChI=1S/C17H24N6/c1-12-9-15(21-17(18)20-12)22-7-2-3-14(11-22)16-19-6-8-23(16)10-13-4-5-13/h6,8-9,13-14H,2-5,7,10-11H2,1H3,(H2,18,20,21)/t14-/m1/s1
InChIKeyDLTKUCCBHOMVAV-CQSZACIVSA-N
XLogP2.36
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]pyrimidin-2-amine
CID 96578525
4-methyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
CID 72858908
3-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridazine
CID 70738565
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 96573599
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 96572355
2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine
CID 70777559
4-methyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 72855194
4-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-5-ethyl-2,6-dimethylpyrimidine
CID 97188278
5-[(3R)-1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 95214641
6-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpyrimidin-4-amine
CID 97155887
4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 166260402
4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 70726995

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine (CID 96575726) is 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCC[C@@H](c3nccn3CC3CC3)C2)nc(N)n1.
What is the InChIKey of 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is DLTKUCCBHOMVAV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6/c1-12-9-15(21-17(18)20-12)22-7-2-3-14(11-22)16-19-6-8-23(16)10-13-4-5-13/h6,8-9,13-14H,2-5,7,10-11H2,1H3,(H2,18,20,21)/t14-/m1/s1.
What are the key properties of 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine?
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 96575726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).