6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C18H21N7 — CID 97200300

IUPAC6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)ncn1
InChIInChI=1S/C18H21N7/c19-16-10-17(23-13-22-16)24-8-3-4-14(11-24)18-21-7-9-25(18)12-15-5-1-2-6-20-15/h1-2,5-7,9-10,13-14H,3-4,8,11-12H2,(H2,19,22,23)/t14-/m1/s1
InChIKeyMFDVNSNGLJJWET-CQSZACIVSA-N
MW335.42 g/mol
LogP2.08
Rot. Bonds4

About 6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 97200300) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID97200300
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)ncn1
InChIInChI=1S/C18H21N7/c19-16-10-17(23-13-22-16)24-8-3-4-14(11-24)18-21-7-9-25(18)12-15-5-1-2-6-20-15/h1-2,5-7,9-10,13-14H,3-4,8,11-12H2,(H2,19,22,23)/t14-/m1/s1
InChIKeyMFDVNSNGLJJWET-CQSZACIVSA-N
XLogP2.08
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97202197
4-methyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
CID 72858908
2-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97207632
4,5-dimethyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72872204
4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
CID 70723430
2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72906714
4-methyl-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 72859530
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 97195658
5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97141189
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 96573599
morpholin-4-yl-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97155138
(2-methoxy-4-pyridinyl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97270134

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 97200300) is 6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is Nc1cc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)ncn1.
What is the InChIKey of 6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is MFDVNSNGLJJWET-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N7/c19-16-10-17(23-13-22-16)24-8-3-4-14(11-24)18-21-7-9-25(18)12-15-5-1-2-6-20-15/h1-2,5-7,9-10,13-14H,3-4,8,11-12H2,(H2,19,22,23)/t14-/m1/s1.
What are the key properties of 6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 335.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 97200300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).