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

C23H34N6 — CID 138501441

IUPACN-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)c1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C23H34N6/c1-17(2)23-25-19(15-21(26-23)29-13-11-27(3)12-14-29)16-28(4)20-9-5-7-18-8-6-10-24-22(18)20/h6,8,10,15,17,20H,5,7,9,11-14,16H2,1-4H3
InChIKeyMWDJZPAXVDUJFO-UHFFFAOYSA-N
MW394.57 g/mol
LogP3.26
Rot. Bonds5

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

N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 138501441) has the molecular formula C23H34N6 and a molecular weight of 394.57 g/mol. Its IUPAC name is N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID138501441
Molecular FormulaC23H34N6
Molecular Weight394.57 g/mol
Exact Mass394.28
IUPAC NameN-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)c1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C23H34N6/c1-17(2)23-25-19(15-21(26-23)29-13-11-27(3)12-14-29)16-28(4)20-9-5-7-18-8-6-10-24-22(18)20/h6,8,10,15,17,20H,5,7,9,11-14,16H2,1-4H3
InChIKeyMWDJZPAXVDUJFO-UHFFFAOYSA-N
XLogP3.26
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Sri-9439
CID 446752
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6d
CID 5328347
2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine
CID 6456587
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 138501441) is N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-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-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CC(C)c1nc(CN(C)C2CCCc3cccnc32)cc(N2CCN(C)CC2)n1.
What is the InChIKey of N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is MWDJZPAXVDUJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6/c1-17(2)23-25-19(15-21(26-23)29-13-11-27(3)12-14-29)16-28(4)20-9-5-7-18-8-6-10-24-22(18)20/h6,8,10,15,17,20H,5,7,9,11-14,16H2,1-4H3.
What are the key properties of N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 394.57 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 138501441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).