2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

C16H19FN4 — CID 80956101

IUPAC2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2cccc(F)c2)nc(C2CC2)n1
InChIInChI=1S/C16H19FN4/c1-18-14-9-15(20-16(19-14)12-6-7-12)21(2)10-11-4-3-5-13(17)8-11/h3-5,8-9,12H,6-7,10H2,1-2H3,(H,18,19,20)
InChIKeyBJRUZYDCMVZCRV-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.17
Rot. Bonds5

About 2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80956101) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80956101
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2cccc(F)c2)nc(C2CC2)n1
InChIInChI=1S/C16H19FN4/c1-18-14-9-15(20-16(19-14)12-6-7-12)21(2)10-11-4-3-5-13(17)8-11/h3-5,8-9,12H,6-7,10H2,1-2H3,(H,18,19,20)
InChIKeyBJRUZYDCMVZCRV-UHFFFAOYSA-N
XLogP3.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80949319
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 80979874
2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine
CID 80952396
6-chloro-2-cyclopropyl-N-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80953491
6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61228402
2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80968162
6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 80953931
4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine
CID 80960822
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
CID 112667758
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 80967047
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80957882
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80793975

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80956101) is 2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is CNc1cc(N(C)Cc2cccc(F)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is BJRUZYDCMVZCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-18-14-9-15(20-16(19-14)12-6-7-12)21(2)10-11-4-3-5-13(17)8-11/h3-5,8-9,12H,6-7,10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 286.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80956101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).