ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C12H23F3N4 — CID 144752640

IUPACethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC.CC.CC(C)Nc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C8H11F3N4.2C2H6/c1-4(2)14-6-5(8(9,10)11)3-13-7(12)15-6;2*1-2/h3-4H,1-2H3,(H3,12,13,14,15);2*1-2H3
InChIKeyGSTJXSBBSNFMFG-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.95
Rot. Bonds2

About ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 144752640) has the molecular formula C12H23F3N4 and a molecular weight of 280.34 g/mol. Its IUPAC name is ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Nameethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID144752640
Molecular FormulaC12H23F3N4
Molecular Weight280.34 g/mol
Exact Mass280.19
IUPAC Nameethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC.CC.CC(C)Nc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C8H11F3N4.2C2H6/c1-4(2)14-6-5(8(9,10)11)3-13-7(12)15-6;2*1-2/h3-4H,1-2H3,(H3,12,13,14,15);2*1-2H3
InChIKeyGSTJXSBBSNFMFG-UHFFFAOYSA-N
XLogP3.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 90391785
4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141176474
5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80762862
4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141126385
5-(2-chloro-4-fluorophenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 135350582
tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate
CID 169102813
6-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 131865190
6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one
CID 145025587
1-[2-amino-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 170188085
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80840874
5-(trifluoromethyl)-2-N-(2,3,4-trimethylpentan-3-yl)pyrimidine-2,4-diamine
CID 134417382
5-chloro-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80777087

Frequently Asked Questions

What is the IUPAC name of ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 144752640) is ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CC.CC.CC(C)Nc1nc(N)ncc1C(F)(F)F.
What is the InChIKey of ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is GSTJXSBBSNFMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4.2C2H6/c1-4(2)14-6-5(8(9,10)11)3-13-7(12)15-6;2*1-2/h3-4H,1-2H3,(H3,12,13,14,15);2*1-2H3.
What are the key properties of ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 280.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 144752640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).