6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine

C19H26N6O — CID 126888327

IUPAC6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3cc4c(nn3)CCC(C)C4)CC2)ncn1
InChIInChI=1S/C19H26N6O/c1-13-3-4-16-14(9-13)10-18(24-23-16)25-7-5-15(6-8-25)22-17-11-19(26-2)21-12-20-17/h10-13,15H,3-9H2,1-2H3,(H,20,21,22)
InChIKeyPXHPAHQFTMSCST-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.48
Rot. Bonds4

About 6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine

6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126888327) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126888327
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3cc4c(nn3)CCC(C)C4)CC2)ncn1
InChIInChI=1S/C19H26N6O/c1-13-3-4-16-14(9-13)10-18(24-23-16)25-7-5-15(6-8-25)22-17-11-19(26-2)21-12-20-17/h10-13,15H,3-9H2,1-2H3,(H,20,21,22)
InChIKeyPXHPAHQFTMSCST-UHFFFAOYSA-N
XLogP2.48
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126888327) is 6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine is COc1cc(NC2CCN(c3cc4c(nn3)CCC(C)C4)CC2)ncn1.
What is the InChIKey of 6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is PXHPAHQFTMSCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-13-3-4-16-14(9-13)10-18(24-23-16)25-7-5-15(6-8-25)22-17-11-19(26-2)21-12-20-17/h10-13,15H,3-9H2,1-2H3,(H,20,21,22).
What are the key properties of 6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
6-methoxy-N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 2.48, 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-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126888327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).