3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline

C19H25N5 — CID 90808391

IUPAC3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline
SMILESCc1nc(-c2cc3c(cn2)CCCC3)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H25N5/c1-14-21-18(12-19(22-14)24-9-7-23(2)8-10-24)17-11-15-5-3-4-6-16(15)13-20-17/h11-13H,3-10H2,1-2H3
InChIKeyMWYUOFVYBLFCCG-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.48
Rot. Bonds2

About 3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline

3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline (PubChem CID 90808391) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline
PubChem CID90808391
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline
SMILESCc1nc(-c2cc3c(cn2)CCCC3)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H25N5/c1-14-21-18(12-19(22-14)24-9-7-23(2)8-10-24)17-11-15-5-3-4-6-16(15)13-20-17/h11-13H,3-10H2,1-2H3
InChIKeyMWYUOFVYBLFCCG-UHFFFAOYSA-N
XLogP2.48
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 4625280
5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 139474272
4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 3653747
2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 3253525
2-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-2-ylpyrimidine;5,6,7,8-tetrahydroquinoline
CID 142548977
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine
CID 171999134
3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 70703521
2-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122340964
2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]pyrimidine
CID 138501437
2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 154853788
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline (CID 90808391) is 3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline is Cc1nc(-c2cc3c(cn2)CCCC3)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is MWYUOFVYBLFCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-14-21-18(12-19(22-14)24-9-7-23(2)8-10-24)17-11-15-5-3-4-6-16(15)13-20-17/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline?
3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 323.44 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 90808391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).