N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine

C16H21N3 — CID 104609384

IUPACN-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine
SMILESCC(C)c1cc(C(C)C)nc(Nc2ccccc2)n1
InChIInChI=1S/C16H21N3/c1-11(2)14-10-15(12(3)4)19-16(18-14)17-13-8-6-5-7-9-13/h5-12H,1-4H3,(H,17,18,19)
InChIKeyALNHZYQMTBYXIF-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.47
Rot. Bonds4

About N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine

N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine (PubChem CID 104609384) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine
PubChem CID104609384
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine
SMILESCC(C)c1cc(C(C)C)nc(Nc2ccccc2)n1
InChIInChI=1S/C16H21N3/c1-11(2)14-10-15(12(3)4)19-16(18-14)17-13-8-6-5-7-9-13/h5-12H,1-4H3,(H,17,18,19)
InChIKeyALNHZYQMTBYXIF-UHFFFAOYSA-N
XLogP4.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-N-phenyl-6-propan-2-ylpyrimidin-2-amine
CID 104609397
2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136778987
2-anilino-4,6-dimethylpyrimidin-5-ol
CID 45097442
4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 134138490
4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134150531
2-N-[2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-1,2-diphenylethenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 141338844
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
cumene;N-phenylaniline
CID 22645781
2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]propanoic acid
CID 4767521
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;methane
CID 157311449
6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18126026
4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112933760

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine?
The IUPAC name of N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine (CID 104609384) is N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine is CC(C)c1cc(C(C)C)nc(Nc2ccccc2)n1.
What is the InChIKey of N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine?
The InChIKey is ALNHZYQMTBYXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)14-10-15(12(3)4)19-16(18-14)17-13-8-6-5-7-9-13/h5-12H,1-4H3,(H,17,18,19).
What are the key properties of N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine?
N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine has a molecular weight of 255.37 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 104609384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).