5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine

C15H21FN4 — CID 149395907

IUPAC5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine
SMILESCNCC1CCC(Nc2ncnc3c2C(F)=CC3)CC1
InChIInChI=1S/C15H21FN4/c1-17-8-10-2-4-11(5-3-10)20-15-14-12(16)6-7-13(14)18-9-19-15/h6,9-11,17H,2-5,7-8H2,1H3,(H,18,19,20)
InChIKeyYOLHAHGQSUHVEH-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.53
Rot. Bonds4

About 5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine

5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 149395907) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine
PubChem CID149395907
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine
SMILESCNCC1CCC(Nc2ncnc3c2C(F)=CC3)CC1
InChIInChI=1S/C15H21FN4/c1-17-8-10-2-4-11(5-3-10)20-15-14-12(16)6-7-13(14)18-9-19-15/h6,9-11,17H,2-5,7-8H2,1H3,(H,18,19,20)
InChIKeyYOLHAHGQSUHVEH-UHFFFAOYSA-N
XLogP2.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-Anilinopropyl)-6-methylpyrimidin-4-amine
CID 262675
N-benzyl-6-methylpyrimidin-4-amine
CID 13629008
6-(2-aminoethyl)-N-[(1S)-1-(3,5-difluorophenyl)ethyl]pyrimidin-4-amine
CID 95208759
4-(cis-4-Tert-butylcyclohexylamino)-6-ethyl-5-fluoropyrimidine
CID 11185082
6-(1-Fluoroethyl)-5-iodo-4-(2-phenylethylamino)pyrimidine
CID 12056722
6-(1-fluoroethyl)-5-iodo-N-(1-phenylethyl)pyrimidin-4-amine
CID 12090405
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-trifluoromethylpyrimidine
CID 15334552
5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine
CID 22097407
4-(cis-4-tert-Butylcyclohexylamino)-6-methyl-5-(2-fluoroethyl)pyrimidine
CID 22097418
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-pentafluoroethylpyrimidine
CID 22097428
4-(cis-4-tert-Butylcyclohexylamino)-6-ethyl-5-fluoromethylpyrimidine
CID 22097429
N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine (CID 149395907) is 5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine is CNCC1CCC(Nc2ncnc3c2C(F)=CC3)CC1.
What is the InChIKey of 5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is YOLHAHGQSUHVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-17-8-10-2-4-11(5-3-10)20-15-14-12(16)6-7-13(14)18-9-19-15/h6,9-11,17H,2-5,7-8H2,1H3,(H,18,19,20).
What are the key properties of 5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine?
5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 276.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 149395907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).