6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine

C14H18N6O — CID 126888036

IUPAC6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3ncccn3)CC2)ncn1
InChIInChI=1S/C14H18N6O/c1-21-13-9-12(17-10-18-13)19-11-3-7-20(8-4-11)14-15-5-2-6-16-14/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,17,18,19)
InChIKeyFWXYCPUFVPPBIO-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.36
Rot. Bonds4

About 6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine

6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 126888036) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID126888036
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3ncccn3)CC2)ncn1
InChIInChI=1S/C14H18N6O/c1-21-13-9-12(17-10-18-13)19-11-3-7-20(8-4-11)14-15-5-2-6-16-14/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,17,18,19)
InChIKeyFWXYCPUFVPPBIO-UHFFFAOYSA-N
XLogP1.36
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888037
6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888251
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888085
6-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888268
6-methoxy-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888329
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888273
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
6-methoxy-N-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888305
N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 171993839

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine (CID 126888036) is 6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine is COc1cc(NC2CCN(c3ncccn3)CC2)ncn1.
What is the InChIKey of 6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is FWXYCPUFVPPBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-21-13-9-12(17-10-18-13)19-11-3-7-20(8-4-11)14-15-5-2-6-16-14/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,17,18,19).
What are the key properties of 6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine?
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 126888036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).