4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine

C17H21FN4 — CID 112899930

IUPAC4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
SMILESFc1cccc(Nc2nccc(NC3CCCCCC3)n2)c1
InChIInChI=1S/C17H21FN4/c18-13-6-5-9-15(12-13)21-17-19-11-10-16(22-17)20-14-7-3-1-2-4-8-14/h5-6,9-12,14H,1-4,7-8H2,(H2,19,20,21,22)
InChIKeyWYGAPMNETBEQHO-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.49
Rot. Bonds4

About 4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine

4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112899930) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID112899930
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
SMILESFc1cccc(Nc2nccc(NC3CCCCCC3)n2)c1
InChIInChI=1S/C17H21FN4/c18-13-6-5-9-15(12-13)21-17-19-11-10-16(22-17)20-14-7-3-1-2-4-8-14/h5-6,9-12,14H,1-4,7-8H2,(H2,19,20,21,22)
InChIKeyWYGAPMNETBEQHO-UHFFFAOYSA-N
XLogP4.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-6-N-(3-fluorophenyl)pyrimidine-4,6-diamine
CID 112856315
4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868750
4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 112884209
2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899975
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112899904
(2S)-2-[[2-(3-fluoroanilino)pyrimidin-4-yl]amino]propan-1-ol
CID 134158145
4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899906
4-N-cyclopropyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112882308
2-N-(2-bromophenyl)-4-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112906278
4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899886
2-N-(3-fluorophenyl)-4-N-[(3S)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155665983

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine (CID 112899930) is 4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine is Fc1cccc(Nc2nccc(NC3CCCCCC3)n2)c1.
What is the InChIKey of 4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is WYGAPMNETBEQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c18-13-6-5-9-15(12-13)21-17-19-11-10-16(22-17)20-14-7-3-1-2-4-8-14/h5-6,9-12,14H,1-4,7-8H2,(H2,19,20,21,22).
What are the key properties of 4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine?
4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 300.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).