1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol

C20H24N6O2 — CID 68631814

IUPAC1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol
SMILESCOc1cc(Nc2nccc(N3CCC(O)CC3)n2)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C20H24N6O2/c1-13-12-22-19(23-13)16-4-3-14(11-17(16)28-2)24-20-21-8-5-18(25-20)26-9-6-15(27)7-10-26/h3-5,8,11-12,15,27H,6-7,9-10H2,1-2H3,(H,22,23)(H,21,24,25)
InChIKeyPRRCDJIHZCLWMM-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.89
Rot. Bonds5

About 1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol

1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 68631814) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID68631814
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol
SMILESCOc1cc(Nc2nccc(N3CCC(O)CC3)n2)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C20H24N6O2/c1-13-12-22-19(23-13)16-4-3-14(11-17(16)28-2)24-20-21-8-5-18(25-20)26-9-6-15(27)7-10-26/h3-5,8,11-12,15,27H,6-7,9-10H2,1-2H3,(H,22,23)(H,21,24,25)
InChIKeyPRRCDJIHZCLWMM-UHFFFAOYSA-N
XLogP2.89
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 68631300
N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine
CID 68630492
6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine
CID 68631964
1-[4-(3,4-dimethoxyanilino)-2-pyridinyl]piperidin-4-ol
CID 70653946
8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 68736299
4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891142
2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol
CID 87371058
N-(3-chloro-4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888005
1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol
CID 74251022
1-[4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888949
2-[6-[(4-chlorophenyl)methyl]-2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]propan-2-ol
CID 68633058
6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 68629643

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol (CID 68631814) is 1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol is COc1cc(Nc2nccc(N3CCC(O)CC3)n2)ccc1-c1ncc(C)[nH]1.
What is the InChIKey of 1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is PRRCDJIHZCLWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13-12-22-19(23-13)16-4-3-14(11-17(16)28-2)24-20-21-8-5-18(25-20)26-9-6-15(27)7-10-26/h3-5,8,11-12,15,27H,6-7,9-10H2,1-2H3,(H,22,23)(H,21,24,25).
What are the key properties of 1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol?
1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 380.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 68631814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).