1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol

C14H20N6O — CID 50964902

IUPAC1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2ccnc(NCCc3ncc[nH]3)n2)CC1
InChIInChI=1S/C14H20N6O/c21-11-3-9-20(10-4-11)13-2-6-18-14(19-13)17-5-1-12-15-7-8-16-12/h2,6-8,11,21H,1,3-5,9-10H2,(H,15,16)(H,17,18,19)
InChIKeyFVQUFMZSVQMXSV-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.82
Rot. Bonds5

About 1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol

1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 50964902) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID50964902
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2ccnc(NCCc3ncc[nH]3)n2)CC1
InChIInChI=1S/C14H20N6O/c21-11-3-9-20(10-4-11)13-2-6-18-14(19-13)17-5-1-12-15-7-8-16-12/h2,6-8,11,21H,1,3-5,9-10H2,(H,15,16)(H,17,18,19)
InChIKeyFVQUFMZSVQMXSV-UHFFFAOYSA-N
XLogP0.82
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-{methyl[(1-methyl-1H-imidazol-2-yl)methyl]amino}pyrimidin-4-yl)piperidin-3-ol
CID 50979500
1-[3-(1H,1'H-2,4'-biimidazol-1-yl)propyl]piperidin-4-ol
CID 56869519
1-[3-(Pyrimidin-2-ylamino)propyl]piperidin-4-OL
CID 72897179
2-({1-[(5-Methyl-1H-imidazol-4-YL)methyl]piperidin-4-YL}oxy)pyrimidine
CID 91832687
(S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
CID 124883293
(3S)-1-[2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 164631072
(3S)-1-[2-[3-(2-ethylimidazol-1-yl)propylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 171359366
1-[1-(4-Aminopyrimidin-2-yl)-3-fluoropropyl]piperidin-4-ol
CID 168237703
2-fluoro-N-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 174788963
5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 50962154
1-[2-({2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}amino)pyrimidin-4-yl]piperidin-4-ol
CID 50953093
1-{2-[(1H-Imidazol-2-ylmethyl)(methyl)amino]pyrimidin-4-YL}pyrrolidin-3-OL
CID 50963891

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol (CID 50964902) is 1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2ccnc(NCCc3ncc[nH]3)n2)CC1.
What is the InChIKey of 1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is FVQUFMZSVQMXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c21-11-3-9-20(10-4-11)13-2-6-18-14(19-13)17-5-1-12-15-7-8-16-12/h2,6-8,11,21H,1,3-5,9-10H2,(H,15,16)(H,17,18,19).
What are the key properties of 1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol?
1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 288.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1H-imidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 50964902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).