6-phenyl-N,2-dipropylpyrimidin-4-amine

C16H21N3 — CID 55193281

IUPAC6-phenyl-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2)nc(CCC)n1
InChIInChI=1S/C16H21N3/c1-3-8-15-18-14(13-9-6-5-7-10-13)12-16(19-15)17-11-4-2/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,18,19)
InChIKeyYBEZTDCMMFVEJI-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.92
Rot. Bonds6

About 6-phenyl-N,2-dipropylpyrimidin-4-amine

6-phenyl-N,2-dipropylpyrimidin-4-amine (PubChem CID 55193281) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-phenyl-N,2-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-phenyl-N,2-dipropylpyrimidin-4-amine
PubChem CID55193281
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-phenyl-N,2-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2)nc(CCC)n1
InChIInChI=1S/C16H21N3/c1-3-8-15-18-14(13-9-6-5-7-10-13)12-16(19-15)17-11-4-2/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,18,19)
InChIKeyYBEZTDCMMFVEJI-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 65132208
2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
CID 116546086
2-butyl-N-methyl-6-phenylpyrimidin-4-amine
CID 79412255
6-phenoxy-N,2-dipropylpyrimidin-4-amine
CID 80949625
N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80945378
6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769168
N-ethyl-6-phenyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65129120
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine
CID 80939152

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N,2-dipropylpyrimidin-4-amine?
The IUPAC name of 6-phenyl-N,2-dipropylpyrimidin-4-amine (CID 55193281) is 6-phenyl-N,2-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-phenyl-N,2-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-phenyl-N,2-dipropylpyrimidin-4-amine is CCCNc1cc(-c2ccccc2)nc(CCC)n1.
What is the InChIKey of 6-phenyl-N,2-dipropylpyrimidin-4-amine?
The InChIKey is YBEZTDCMMFVEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-8-15-18-14(13-9-6-5-7-10-13)12-16(19-15)17-11-4-2/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,18,19).
What are the key properties of 6-phenyl-N,2-dipropylpyrimidin-4-amine?
6-phenyl-N,2-dipropylpyrimidin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N,2-dipropylpyrimidin-4-amine is sourced from PubChem (CID 55193281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).