6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine

C17H21N3 — CID 116506983

IUPAC6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(C3CCC3)cc2)ncn1
InChIInChI=1S/C17H21N3/c1-2-10-18-17-11-16(19-12-20-17)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,11-13H,2-5,10H2,1H3,(H,18,19,20)
InChIKeyNXXNTRBEFLYVCU-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.23
Rot. Bonds5

About 6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine

6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine (PubChem CID 116506983) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine
PubChem CID116506983
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(C3CCC3)cc2)ncn1
InChIInChI=1S/C17H21N3/c1-2-10-18-17-11-16(19-12-20-17)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,11-13H,2-5,10H2,1H3,(H,18,19,20)
InChIKeyNXXNTRBEFLYVCU-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136
4-(4-cyclobutylphenyl)-6-methyl-N-propylpyrimidin-2-amine
CID 116506929
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403068
4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 116506918
4-(4-cyclobutylphenyl)-5-methyl-N-propylpyrimidin-2-amine
CID 116506989
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
[6-(4-cyclopropylphenyl)pyrimidin-4-yl]methanamine
CID 118008230
N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82473894
6-(3-cyclobutylphenyl)-N-propylpyrazin-2-amine
CID 114606962
5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 118033824
6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 79689981

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine (CID 116506983) is 6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccc(C3CCC3)cc2)ncn1.
What is the InChIKey of 6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is NXXNTRBEFLYVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-10-18-17-11-16(19-12-20-17)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,11-13H,2-5,10H2,1H3,(H,18,19,20).
What are the key properties of 6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine?
6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116506983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).