(3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine

C18H20N6 — CID 175126573

IUPAC(3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ncncc2-n2ccnc2-c2ccccc2)C1
InChIInChI=1S/C18H20N6/c19-15-7-4-9-23(12-15)18-16(11-20-13-22-18)24-10-8-21-17(24)14-5-2-1-3-6-14/h1-3,5-6,8,10-11,13,15H,4,7,9,12,19H2/t15-/m0/s1
InChIKeyANRRRWHXZRDPRD-HNNXBMFYSA-N
MW320.40 g/mol
LogP2.26
Rot. Bonds3

About (3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine

(3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine (PubChem CID 175126573) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is (3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine
PubChem CID175126573
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name(3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ncncc2-n2ccnc2-c2ccccc2)C1
InChIInChI=1S/C18H20N6/c19-15-7-4-9-23(12-15)18-16(11-20-13-22-18)24-10-8-21-17(24)14-5-2-1-3-6-14/h1-3,5-6,8,10-11,13,15H,4,7,9,12,19H2/t15-/m0/s1
InChIKeyANRRRWHXZRDPRD-HNNXBMFYSA-N
XLogP2.26
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine
CID 141361205
1-(3-methyl-2-pyridinyl)piperidin-3-amine
CID 62253167
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-3-amine
CID 91811933
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945
1-(2-methyl-3-pyridinyl)piperidin-3-amine
CID 79043598
(3R)-3-methyl-4-[3-(2-phenylimidazol-1-yl)-4-pyridinyl]morpholine
CID 175322187
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-phenylpyridine-2-carboxamide
CID 77420756
(3S)-1-pyrazin-2-ylpiperidin-3-amine
CID 86277059
3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine
CID 97165327
3-(3-aminopiperidin-1-yl)-N-methylpyridin-4-amine
CID 145468600
N-(2-carbamoylphenyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103999

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine (CID 175126573) is (3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine is N[C@H]1CCCN(c2ncncc2-n2ccnc2-c2ccccc2)C1.
What is the InChIKey of (3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine?
The InChIKey is ANRRRWHXZRDPRD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N6/c19-15-7-4-9-23(12-15)18-16(11-20-13-22-18)24-10-8-21-17(24)14-5-2-1-3-6-14/h1-3,5-6,8,10-11,13,15H,4,7,9,12,19H2/t15-/m0/s1.
What are the key properties of (3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine?
(3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine has a molecular weight of 320.40 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(2-phenylimidazol-1-yl)pyrimidin-4-yl]piperidin-3-amine is sourced from PubChem (CID 175126573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).