4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine

C7H11F3N4 — CID 143492583

IUPAC4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCC(F)(F)F)C=CN1
InChIInChI=1S/C7H11F3N4/c8-7(9,10)2-1-6(12)3-4-13-5(11)14-6/h3-4H,1-2,12H2,(H3,11,13,14)
InChIKeyXWWXELFVZNGCQW-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.42
Rot. Bonds2

About 4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine

4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine (PubChem CID 143492583) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine
PubChem CID143492583
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCC(F)(F)F)C=CN1
InChIInChI=1S/C7H11F3N4/c8-7(9,10)2-1-6(12)3-4-13-5(11)14-6/h3-4H,1-2,12H2,(H3,11,13,14)
InChIKeyXWWXELFVZNGCQW-UHFFFAOYSA-N
XLogP0.42
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-diamine
CID 68867326
4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine
CID 143515499
4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 151706077
4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 154281463
4-(2,2,2-trifluoroethyl)-1H-pyrimidine-4,5-diamine
CID 152391419
4-ethyl-1H-pyrimidine-2,4-diamine
CID 67413305
4-propyl-1H-pyrimidine-2,4-diamine
CID 143394966
4-(2-aminoethyl)-1H-pyrimidine-2,4-diamine
CID 153927810

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine (CID 143492583) is 4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine is NC1=NC(N)(CCC(F)(F)F)C=CN1.
What is the InChIKey of 4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is XWWXELFVZNGCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c8-7(9,10)2-1-6(12)3-4-13-5(11)14-6/h3-4H,1-2,12H2,(H3,11,13,14).
What are the key properties of 4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine?
4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 208.19 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143492583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).