N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine

C15H16FN3 — CID 133297192

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NCC2(c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C15H16FN3/c1-11-8-14(19-10-18-11)17-9-15(6-7-15)12-2-4-13(16)5-3-12/h2-5,8,10H,6-7,9H2,1H3,(H,17,18,19)
InChIKeyHMMPJRIGOUEJCA-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.07
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine (PubChem CID 133297192) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine
PubChem CID133297192
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NCC2(c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C15H16FN3/c1-11-8-14(19-10-18-11)17-9-15(6-7-15)12-2-4-13(16)5-3-12/h2-5,8,10H,6-7,9H2,1H3,(H,17,18,19)
InChIKeyHMMPJRIGOUEJCA-UHFFFAOYSA-N
XLogP3.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 63830485
N-[(1-ethylcyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 103764979
6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761666
[1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300453
4-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133298596
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
CID 62594197
2-[6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137274924
N-(2-bromoethyl)-6-methylpyrimidin-4-amine
CID 126848039
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 42269706
N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970433

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine (CID 133297192) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine is Cc1cc(NCC2(c3ccc(F)cc3)CC2)ncn1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine?
The InChIKey is HMMPJRIGOUEJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c1-11-8-14(19-10-18-11)17-9-15(6-7-15)12-2-4-13(16)5-3-12/h2-5,8,10H,6-7,9H2,1H3,(H,17,18,19).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine has a molecular weight of 257.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133297192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).