N-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

C22H32N6O — CID 138501446

IUPACN-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCOc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H32N6O/c1-4-29-22-24-18(15-20(25-22)28-13-11-26(2)12-14-28)16-27(3)19-9-5-7-17-8-6-10-23-21(17)19/h6,8,10,15,19H,4-5,7,9,11-14,16H2,1-3H3
InChIKeyNANHPBPULVGQNC-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.53
Rot. Bonds6

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

N-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 138501446) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID138501446
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC NameN-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCOc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H32N6O/c1-4-29-22-24-18(15-20(25-22)28-13-11-26(2)12-14-28)16-27(3)19-9-5-7-17-8-6-10-23-21(17)19/h6,8,10,15,19H,4-5,7,9,11-14,16H2,1-3H3
InChIKeyNANHPBPULVGQNC-UHFFFAOYSA-N
XLogP2.53
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 138501446) is N-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is CCOc1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1.
What is the InChIKey of N-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is NANHPBPULVGQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-4-29-22-24-18(15-20(25-22)28-13-11-26(2)12-14-28)16-27(3)19-9-5-7-17-8-6-10-23-21(17)19/h6,8,10,15,19H,4-5,7,9,11-14,16H2,1-3H3.
What are the key properties of N-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 396.54 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethoxy-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 138501446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).