5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine

C16H21N5O — CID 117211071

IUPAC5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2nc(N)ncc2N2CCC(N)CC2)c1
InChIInChI=1S/C16H21N5O/c1-22-13-4-2-3-11(9-13)15-14(10-19-16(18)20-15)21-7-5-12(17)6-8-21/h2-4,9-10,12H,5-8,17H2,1H3,(H2,18,19,20)
InChIKeyXHCSVBMTWSPJRG-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.66
Rot. Bonds3

About 5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine

5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine (PubChem CID 117211071) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine
PubChem CID117211071
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2nc(N)ncc2N2CCC(N)CC2)c1
InChIInChI=1S/C16H21N5O/c1-22-13-4-2-3-11(9-13)15-14(10-19-16(18)20-15)21-7-5-12(17)6-8-21/h2-4,9-10,12H,5-8,17H2,1H3,(H2,18,19,20)
InChIKeyXHCSVBMTWSPJRG-UHFFFAOYSA-N
XLogP1.66
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine
CID 117211103
1-[4-(3-methoxyphenyl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]piperidin-4-amine
CID 118250581
1-[2-methyl-4-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
CID 117211255
1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224093
4-(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
CID 142779544
5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95814820
5-(4-aminopiperidin-1-yl)-6-(4-methoxyphenyl)-1H-pyrimidin-2-one
CID 117211273
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
CID 67428226
1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride
CID 154913151
5-(3-methoxyphenyl)-4-[(2R)-1-(quinoxalin-6-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 95837063
[(2R)-2-[2-amino-5-(3-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 125024530

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine (CID 117211071) is 5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine is COc1cccc(-c2nc(N)ncc2N2CCC(N)CC2)c1.
What is the InChIKey of 5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is XHCSVBMTWSPJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-22-13-4-2-3-11(9-13)15-14(10-19-16(18)20-15)21-7-5-12(17)6-8-21/h2-4,9-10,12H,5-8,17H2,1H3,(H2,18,19,20).
What are the key properties of 5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine?
5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 299.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidin-1-yl)-4-(3-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 117211071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).