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

C18H20N6O — CID 126888251

IUPAC6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3ncnc4ccccc34)CC2)ncn1
InChIInChI=1S/C18H20N6O/c1-25-17-10-16(20-12-21-17)23-13-6-8-24(9-7-13)18-14-4-2-3-5-15(14)19-11-22-18/h2-5,10-13H,6-9H2,1H3,(H,20,21,23)
InChIKeyLXNFDMRZSRPHKH-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.51
Rot. Bonds4

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

6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 126888251) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID126888251
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3ncnc4ccccc34)CC2)ncn1
InChIInChI=1S/C18H20N6O/c1-25-17-10-16(20-12-21-17)23-13-6-8-24(9-7-13)18-14-4-2-3-5-15(14)19-11-22-18/h2-5,10-13H,6-9H2,1H3,(H,20,21,23)
InChIKeyLXNFDMRZSRPHKH-UHFFFAOYSA-N
XLogP2.51
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methoxy-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888329
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
6-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888268
N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
CID 115307565
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888037
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888085
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 126887928
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888273
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-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171336312

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine (CID 126888251) is 6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine is COc1cc(NC2CCN(c3ncnc4ccccc34)CC2)ncn1.
What is the InChIKey of 6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is LXNFDMRZSRPHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-25-17-10-16(20-12-21-17)23-13-6-8-24(9-7-13)18-14-4-2-3-5-15(14)19-11-22-18/h2-5,10-13H,6-9H2,1H3,(H,20,21,23).
What are the key properties of 6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine?
6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 2.51, 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-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 126888251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).