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

C24H32N8 — CID 138501447

IUPACN-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(-c3cnn(C)c3)n2)CC1
InChIInChI=1S/C24H32N8/c1-29-10-12-32(13-11-29)22-14-20(27-24(28-22)19-15-26-31(3)16-19)17-30(2)21-8-4-6-18-7-5-9-25-23(18)21/h5,7,9,14-16,21H,4,6,8,10-13,17H2,1-3H3
InChIKeyMPANCIFVAOMEHK-UHFFFAOYSA-N
MW432.58 g/mol
LogP2.53
Rot. Bonds5

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

N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 138501447) has the molecular formula C24H32N8 and a molecular weight of 432.58 g/mol. Its IUPAC name is N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID138501447
Molecular FormulaC24H32N8
Molecular Weight432.58 g/mol
Exact Mass432.27
IUPAC NameN-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(-c3cnn(C)c3)n2)CC1
InChIInChI=1S/C24H32N8/c1-29-10-12-32(13-11-29)22-14-20(27-24(28-22)19-15-26-31(3)16-19)17-30(2)21-8-4-6-18-7-5-9-25-23(18)21/h5,7,9,14-16,21H,4,6,8,10-13,17H2,1-3H3
InChIKeyMPANCIFVAOMEHK-UHFFFAOYSA-N
XLogP2.53
TPSA66.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.58
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 138501447) is N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCN(c2cc(CN(C)C3CCCc4cccnc43)nc(-c3cnn(C)c3)n2)CC1.
What is the InChIKey of N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is MPANCIFVAOMEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8/c1-29-10-12-32(13-11-29)22-14-20(27-24(28-22)19-15-26-31(3)16-19)17-30(2)21-8-4-6-18-7-5-9-25-23(18)21/h5,7,9,14-16,21H,4,6,8,10-13,17H2,1-3H3.
What are the key properties of N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 432.58 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 138501447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).