2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline

C23H34N6 — CID 142548977

IUPAC2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline
SMILESCc1nc(C2CCCN2)cc(N2CCN(C)CC2)n1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C14H23N5.C9H11N/c1-11-16-13(12-4-3-5-15-12)10-14(17-11)19-8-6-18(2)7-9-19;1-2-6-9-8(4-1)5-3-7-10-9/h10,12,15H,3-9H2,1-2H3;3,5,7H,1-2,4,6H2
InChIKeySMMWDWRGPAXAKO-UHFFFAOYSA-N
MW394.57 g/mol
LogP2.92
Rot. Bonds2

About 2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline

2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline (PubChem CID 142548977) has the molecular formula C23H34N6 and a molecular weight of 394.57 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline
PubChem CID142548977
Molecular FormulaC23H34N6
Molecular Weight394.57 g/mol
Exact Mass394.28
IUPAC Name2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline
SMILESCc1nc(C2CCCN2)cc(N2CCN(C)CC2)n1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C14H23N5.C9H11N/c1-11-16-13(12-4-3-5-15-12)10-14(17-11)19-8-6-18(2)7-9-19;1-2-6-9-8(4-1)5-3-7-10-9/h10,12,15H,3-9H2,1-2H3;3,5,7H,1-2,4,6H2
InChIKeySMMWDWRGPAXAKO-UHFFFAOYSA-N
XLogP2.92
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5R)-5-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]piperidin-3-ol
CID 138501667
2-methyl-6-[(2S)-piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 124953762
N-cyclopentyl-2-methyl-6-[(2R)-pyrrolidin-2-yl]pyrimidin-4-amine
CID 95846278
3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline
CID 90808391
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 175984451
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 122340982
6-[[4-[2-methyl-6-[(2R)-pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]methyl]quinoline
CID 92619694
N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline
CID 143198321
3-(2-methyl-3-pyridinyl)-5-pyrrolidin-2-yl-1,2-oxazole
CID 68838963
1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone
CID 110271393
5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
CID 138391870

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline (CID 142548977) is 2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline is Cc1nc(C2CCCN2)cc(N2CCN(C)CC2)n1.c1cnc2c(c1)CCCC2.
What is the InChIKey of 2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline?
The InChIKey is SMMWDWRGPAXAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5.C9H11N/c1-11-16-13(12-4-3-5-15-12)10-14(17-11)19-8-6-18(2)7-9-19;1-2-6-9-8(4-1)5-3-7-10-9/h10,12,15H,3-9H2,1-2H3;3,5,7H,1-2,4,6H2.
What are the key properties of 2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline?
2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline has a molecular weight of 394.57 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 142548977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).