2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine

C8H8ClF2N3 — CID 169118139

IUPAC2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine
SMILESFC(F)c1cnc(Cl)nc1NC1CC1
InChIInChI=1S/C8H8ClF2N3/c9-8-12-3-5(6(10)11)7(14-8)13-4-1-2-4/h3-4,6H,1-2H2,(H,12,13,14)
InChIKeyPXSPIWUSOLDEGN-UHFFFAOYSA-N
MW219.62 g/mol
LogP2.64
Rot. Bonds3

About 2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine

2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine (PubChem CID 169118139) has the molecular formula C8H8ClF2N3 and a molecular weight of 219.62 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine
PubChem CID169118139
Molecular FormulaC8H8ClF2N3
Molecular Weight219.62 g/mol
Exact Mass219.04
IUPAC Name2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine
SMILESFC(F)c1cnc(Cl)nc1NC1CC1
InChIInChI=1S/C8H8ClF2N3/c9-8-12-3-5(6(10)11)7(14-8)13-4-1-2-4/h3-4,6H,1-2H2,(H,12,13,14)
InChIKeyPXSPIWUSOLDEGN-UHFFFAOYSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
4-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,4-diamine
CID 89143426
[2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone
CID 162245679
2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
CID 59210379
2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 169119169
2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118905687
2-chloro-N-cyclopropyl-5-(10,10,10-trifluorodecyl)pyrimidin-4-amine
CID 150346047
2-chloro-N-(1,1-dioxothian-4-yl)-5-fluoropyrimidin-4-amine
CID 79080718
[4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid
CID 141129534
4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid
CID 89127830
2-chloro-N-cycloheptyl-5-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 155812763

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine (CID 169118139) is 2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine is FC(F)c1cnc(Cl)nc1NC1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine?
The InChIKey is PXSPIWUSOLDEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N3/c9-8-12-3-5(6(10)11)7(14-8)13-4-1-2-4/h3-4,6H,1-2H2,(H,12,13,14).
What are the key properties of 2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine?
2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine has a molecular weight of 219.62 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-(difluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 169118139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).