N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

C20H28N4 — CID 112885157

IUPACN-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(Nc3ccc(C(C)(C)C)cc3)n2)CC1
InChIInChI=1S/C20H28N4/c1-15-10-13-24(14-11-15)18-9-12-21-19(23-18)22-17-7-5-16(6-8-17)20(2,3)4/h5-9,12,15H,10-11,13-14H2,1-4H3,(H,21,22,23)
InChIKeyZIBATSMERMHTEI-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.75
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112885157) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112885157
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(Nc3ccc(C(C)(C)C)cc3)n2)CC1
InChIInChI=1S/C20H28N4/c1-15-10-13-24(14-11-15)18-9-12-21-19(23-18)22-17-7-5-16(6-8-17)20(2,3)4/h5-9,12,15H,10-11,13-14H2,1-4H3,(H,21,22,23)
InChIKeyZIBATSMERMHTEI-UHFFFAOYSA-N
XLogP4.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885211
ethyl 4-[2-(4-tert-butylanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897919
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
4-(azepan-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 112901579
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882660
2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propylpyrimidine-2,4-diamine
CID 112881882
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885070
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885068
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112885071
4-(azepan-1-yl)-N-(4-bromophenyl)pyrimidin-2-amine
CID 112901564
1-N-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 112900775

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112885157) is N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is CC1CCN(c2ccnc(Nc3ccc(C(C)(C)C)cc3)n2)CC1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is ZIBATSMERMHTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-15-10-13-24(14-11-15)18-9-12-21-19(23-18)22-17-7-5-16(6-8-17)20(2,3)4/h5-9,12,15H,10-11,13-14H2,1-4H3,(H,21,22,23).
What are the key properties of N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 324.47 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112885157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).