[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone

C22H30N4O — CID 133409488

IUPAC[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cc(C(C)C)nc(C(C)C)n3)CC2)cc1
InChIInChI=1S/C22H30N4O/c1-15(2)19-14-20(24-21(23-19)16(3)4)25-10-12-26(13-11-25)22(27)18-8-6-17(5)7-9-18/h6-9,14-16H,10-13H2,1-5H3
InChIKeyKTGNEIRECUSYDZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.99
Rot. Bonds4

About [4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone

[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 133409488) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID133409488
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cc(C(C)C)nc(C(C)C)n3)CC2)cc1
InChIInChI=1S/C22H30N4O/c1-15(2)19-14-20(24-21(23-19)16(3)4)25-10-12-26(13-11-25)22(27)18-8-6-17(5)7-9-18/h6-9,14-16H,10-13H2,1-5H3
InChIKeyKTGNEIRECUSYDZ-UHFFFAOYSA-N
XLogP3.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 18287876
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-[4-[(S)-methylsulfinyl]phenyl]methanone
CID 41429722
N,N-dimethyl-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 18120121
(3-aminophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119837058
2-[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768578
(4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 53202519
N-[2-methyl-5-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55560064
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 53047653
4-fluoro-N-[4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 46637296
[3-(difluoromethoxy)phenyl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 18289174
[4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone
CID 75374053
[4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone
CID 86285676

Frequently Asked Questions

What is the IUPAC name of [4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone (CID 133409488) is [4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(c3cc(C(C)C)nc(C(C)C)n3)CC2)cc1.
What is the InChIKey of [4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is KTGNEIRECUSYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-15(2)19-14-20(24-21(23-19)16(3)4)25-10-12-26(13-11-25)22(27)18-8-6-17(5)7-9-18/h6-9,14-16H,10-13H2,1-5H3.
What are the key properties of [4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 366.51 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 133409488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).