[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C20H29N7O2 — CID 122340854

IUPAC[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)n1
InChIInChI=1S/C20H29N7O2/c1-14-19(15(2)24(4)23-14)20(28)27-7-5-25(6-8-27)17-13-18(22-16(3)21-17)26-9-11-29-12-10-26/h13H,5-12H2,1-4H3
InChIKeyIHSVJJKQAYCODT-UHFFFAOYSA-N
MW399.50 g/mol
LogP0.93
Rot. Bonds3

About [4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 122340854) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is [4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID122340854
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC Name[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)n1
InChIInChI=1S/C20H29N7O2/c1-14-19(15(2)24(4)23-14)20(28)27-7-5-25(6-8-27)17-13-18(22-16(3)21-17)26-9-11-29-12-10-26/h13H,5-12H2,1-4H3
InChIKeyIHSVJJKQAYCODT-UHFFFAOYSA-N
XLogP0.93
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340830
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699345
1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122340897
(4-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748400
(4-bromophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748441
(4-chlorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267909
[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 90626680
(4-ethylphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699890
(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267906
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365513
(5-fluoro-3-pyridinyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340903
[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 122338796

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 122340854) is [4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)n1.
What is the InChIKey of [4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is IHSVJJKQAYCODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O2/c1-14-19(15(2)24(4)23-14)20(28)27-7-5-25(6-8-27)17-13-18(22-16(3)21-17)26-9-11-29-12-10-26/h13H,5-12H2,1-4H3.
What are the key properties of [4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 399.50 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 122340854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).