[4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone

C20H27N5O — CID 86285676

IUPAC[4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(Nc3cc(C(C)C)nc(N)n3)CC2)cc1
InChIInChI=1S/C20H27N5O/c1-13(2)17-12-18(24-20(21)23-17)22-16-8-10-25(11-9-16)19(26)15-6-4-14(3)5-7-15/h4-7,12-13,16H,8-11H2,1-3H3,(H3,21,22,23,24)
InChIKeyBMOOFWAUOVVKIK-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.21
Rot. Bonds4

About [4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone

[4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 86285676) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is [4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID86285676
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name[4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(Nc3cc(C(C)C)nc(N)n3)CC2)cc1
InChIInChI=1S/C20H27N5O/c1-13(2)17-12-18(24-20(21)23-17)22-16-8-10-25(11-9-16)19(26)15-6-4-14(3)5-7-15/h4-7,12-13,16H,8-11H2,1-3H3,(H3,21,22,23,24)
InChIKeyBMOOFWAUOVVKIK-UHFFFAOYSA-N
XLogP3.21
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone with MolForge

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Related Compounds

[4-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 133409488
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684
1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
CID 97101804
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
[4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 126840338
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(E)-N-hydroxy-3-[6-[[1-(4-methylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]prop-2-enamide
CID 87637895
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
[4-(4-methyl-2-nitroanilino)piperidin-1-yl]-(4-methylphenyl)methanone
CID 133389526
3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119770082
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone (CID 86285676) is [4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(Nc3cc(C(C)C)nc(N)n3)CC2)cc1.
What is the InChIKey of [4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is BMOOFWAUOVVKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-13(2)17-12-18(24-20(21)23-17)22-16-8-10-25(11-9-16)19(26)15-6-4-14(3)5-7-15/h4-7,12-13,16H,8-11H2,1-3H3,(H3,21,22,23,24).
What are the key properties of [4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone?
[4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 353.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 86285676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).