2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

C14H21F3N4 — CID 80983086

IUPAC2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(N(C)CCC(F)(F)F)c1C
InChIInChI=1S/C14H21F3N4/c1-4-18-11-9(2)13(20-12(19-11)10-5-6-10)21(3)8-7-14(15,16)17/h10H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyCATGYNLFBTXBGP-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.48
Rot. Bonds6

About 2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (PubChem CID 80983086) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
PubChem CID80983086
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(N(C)CCC(F)(F)F)c1C
InChIInChI=1S/C14H21F3N4/c1-4-18-11-9(2)13(20-12(19-11)10-5-6-10)21(3)8-7-14(15,16)17/h10H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyCATGYNLFBTXBGP-UHFFFAOYSA-N
XLogP3.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-(1-azepanyl)-N,2-dicyclopropyl-5-methyl-4-pyrimidinamine
CID 10125445
6-Chloro-2-Cyclopropyl-5-Methyl-N-Propylpyrimidin-4-Amine
CID 80970780
N,2-dicyclopropyl-5-methyl-6-(4-(trifluoromethyl)piperidin-1-yl)pyrimidin-4-amine
CID 44409462
N,2-dicyclopropyl-6-(4,4-difluoropiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 44409463
N,2-dicyclopropyl-5-methyl-6-(piperidin-1-yl)pyrimidin-4-amine
CID 44409558
N,2-dicyclopropyl-5-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 44409755
N4-cyclohexyl-N6,2-dicyclopropyl-5-methyl-4,6-pyrimidinediamine
CID 44409760
6-(azepan-1-yl)-N-cyclopropyl-2-isopropyl-5-methylpyrimidin-4-amine
CID 44409956
6-(azepan-1-yl)-N-cyclobutyl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 44409751
6-(azepan-1-yl)-2-cyclopropyl-5-methyl-N-[(1S,2S)-2-methylcyclopropyl]pyrimidin-4-amine
CID 44409945
6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine
CID 122191265
6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80970089

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine (CID 80983086) is 2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is CCNc1nc(C2CC2)nc(N(C)CCC(F)(F)F)c1C.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
The InChIKey is CATGYNLFBTXBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-4-18-11-9(2)13(20-12(19-11)10-5-6-10)21(3)8-7-14(15,16)17/h10H,4-8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80983086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).