N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine

C20H28N4 — CID 112910070

IUPACN-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C20H28N4/c1-15-14-18(24-12-6-5-7-13-24)23-19(21-15)22-17-10-8-16(9-11-17)20(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3,(H,21,22,23)
InChIKeyAZYFSUUIKGKEIT-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.82
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine

N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112910070) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
PubChem CID112910070
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C20H28N4/c1-15-14-18(24-12-6-5-7-13-24)23-19(21-15)22-17-10-8-16(9-11-17)20(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3,(H,21,22,23)
InChIKeyAZYFSUUIKGKEIT-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914217
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909346
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910130
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
CID 18566685
4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478347
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122287655
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121032489
4-chloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27478593
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-4-methylsulfanylbenzamide
CID 122287881
4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112926580
2,4-difluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 121032487

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine (CID 112910070) is N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine is Cc1cc(N2CCCCC2)nc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is AZYFSUUIKGKEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-15-14-18(24-12-6-5-7-13-24)23-19(21-15)22-17-10-8-16(9-11-17)20(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3,(H,21,22,23).
What are the key properties of N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 324.47 g/mol, XLogP of 4.82, 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-methyl-6-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112910070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).