(8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C25H36N6O — CID 138501641

IUPAC(8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C25H36N6O/c1-19-27-21(18-29(2)23-7-3-5-20-6-4-10-26-25(20)23)17-24(28-19)31-11-8-22(9-12-31)30-13-15-32-16-14-30/h4,6,10,17,22-23H,3,5,7-9,11-16,18H2,1-2H3/t23-/m0/s1
InChIKeyKXTGLNYATQXBKQ-QHCPKHFHSA-N
MW436.60 g/mol
LogP2.99
Rot. Bonds5

About (8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 138501641) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is (8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID138501641
Molecular FormulaC25H36N6O
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC Name(8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C25H36N6O/c1-19-27-21(18-29(2)23-7-3-5-20-6-4-10-26-25(20)23)17-24(28-19)31-11-8-22(9-12-31)30-13-15-32-16-14-30/h4,6,10,17,22-23H,3,5,7-9,11-16,18H2,1-2H3/t23-/m0/s1
InChIKeyKXTGLNYATQXBKQ-QHCPKHFHSA-N
XLogP2.99
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 138501641) is (8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is Cc1nc(CN(C)[C@H]2CCCc3cccnc32)cc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of (8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is KXTGLNYATQXBKQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H36N6O/c1-19-27-21(18-29(2)23-7-3-5-20-6-4-10-26-25(20)23)17-24(28-19)31-11-8-22(9-12-31)30-13-15-32-16-14-30/h4,6,10,17,22-23H,3,5,7-9,11-16,18H2,1-2H3/t23-/m0/s1.
What are the key properties of (8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 436.60 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-methyl-N-[[2-methyl-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 138501641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).