4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine

C16H23N7O — CID 70730935

IUPAC4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESNc1nc(N2CCOCC2)cc(N2CCCC(c3ncc[nH]3)C2)n1
InChIInChI=1S/C16H23N7O/c17-16-20-13(22-6-8-24-9-7-22)10-14(21-16)23-5-1-2-12(11-23)15-18-3-4-19-15/h3-4,10,12H,1-2,5-9,11H2,(H,18,19)(H2,17,20,21)
InChIKeyYIXXHVIVOIYRPX-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.00
Rot. Bonds3

About 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine

4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 70730935) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID70730935
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
SMILESNc1nc(N2CCOCC2)cc(N2CCCC(c3ncc[nH]3)C2)n1
InChIInChI=1S/C16H23N7O/c17-16-20-13(22-6-8-24-9-7-22)10-14(21-16)23-5-1-2-12(11-23)15-18-3-4-19-15/h3-4,10,12H,1-2,5-9,11H2,(H,18,19)(H2,17,20,21)
InChIKeyYIXXHVIVOIYRPX-UHFFFAOYSA-N
XLogP1.00
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine
CID 70737878
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364
4-(difluoromethyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine
CID 166270987
6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 70716303
4-amino-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 131900302
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline
CID 127741692
(3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine
CID 124559461
5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 72844232
4-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
CID 133123239
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133448356
3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide
CID 166188808
methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133448398

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine (CID 70730935) is 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine is Nc1nc(N2CCOCC2)cc(N2CCCC(c3ncc[nH]3)C2)n1.
What is the InChIKey of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is YIXXHVIVOIYRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c17-16-20-13(22-6-8-24-9-7-22)10-14(21-16)23-5-1-2-12(11-23)15-18-3-4-19-15/h3-4,10,12H,1-2,5-9,11H2,(H,18,19)(H2,17,20,21).
What are the key properties of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine?
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 329.41 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 70730935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).