2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

C13H19F2N3 — CID 114216414

IUPAC2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(C2CCC(F)(F)C2)nc1NC
InChIInChI=1S/C13H19F2N3/c1-4-10-8(2)17-11(18-12(10)16-3)9-5-6-13(14,15)7-9/h9H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyLORXPVPNDDGQEO-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.29
Rot. Bonds3

About 2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (PubChem CID 114216414) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
PubChem CID114216414
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(C2CCC(F)(F)C2)nc1NC
InChIInChI=1S/C13H19F2N3/c1-4-10-8(2)17-11(18-12(10)16-3)9-5-6-13(14,15)7-9/h9H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyLORXPVPNDDGQEO-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
4-N-butyl-6-methyl-5-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271038
5-(4-aminobutyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 155543587
5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 135260422
4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 135271011
4-Amino-2-methyl-6-pentafluoroethyl-5-trifluoromethylpyrimidine
CID 2246209
N-[3-(Dimethylamino)propyl]-2-methyl-5H,6H,7H-cyclopenta[D]pyrimidin-4-amine
CID 16876757
Pyrimidine, 2,4-diamino-5-isobutyl-6-methyl-
CID 23423603
Pyrimidine, 4,6-dimethyl-2-methylamino-5-propyl-
CID 171383853

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (CID 114216414) is 2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is CCc1c(C)nc(C2CCC(F)(F)C2)nc1NC.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The InChIKey is LORXPVPNDDGQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-4-10-8(2)17-11(18-12(10)16-3)9-5-6-13(14,15)7-9/h9H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine has a molecular weight of 255.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 114216414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).