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

C19H26N4 — CID 112884701

IUPACN-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)c1ccccc1Nc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C19H26N4/c1-19(2,3)15-9-5-6-10-16(15)21-17-11-12-20-18(22-17)23-13-7-4-8-14-23/h5-6,9-12H,4,7-8,13-14H2,1-3H3,(H,20,21,22)
InChIKeyZLJMKRAORBDNGK-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.51
Rot. Bonds3

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

N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112884701) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID112884701
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)c1ccccc1Nc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C19H26N4/c1-19(2,3)15-9-5-6-10-16(15)21-17-11-12-20-18(22-17)23-13-7-4-8-14-23/h5-6,9-12H,4,7-8,13-14H2,1-3H3,(H,20,21,22)
InChIKeyZLJMKRAORBDNGK-UHFFFAOYSA-N
XLogP4.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884073
N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884703
2-[[2-(azepan-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112901682
2-(azepan-1-yl)-N-(2,3-dichlorophenyl)pyrimidin-4-amine
CID 112901677
N-(2-tert-butylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957970
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899013
2-(azepan-1-yl)-N-benzylpyrimidin-4-amine
CID 112889457
N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899006
2-(azepan-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112926722
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882053

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine (CID 112884701) is N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine is CC(C)(C)c1ccccc1Nc1ccnc(N2CCCCC2)n1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is ZLJMKRAORBDNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-19(2,3)15-9-5-6-10-16(15)21-17-11-12-20-18(22-17)23-13-7-4-8-14-23/h5-6,9-12H,4,7-8,13-14H2,1-3H3,(H,20,21,22).
What are the key properties of N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine?
N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112884701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).