6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C12H17ClF3N3 — CID 63730171

IUPAC6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(CCC)CC(F)(F)F
InChIInChI=1S/C12H17ClF3N3/c1-3-5-9-10(13)17-8-18-11(9)19(6-4-2)7-12(14,15)16/h8H,3-7H2,1-2H3
InChIKeyNPPXURSRKVZXAX-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.86
Rot. Bonds6

About 6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 63730171) has the molecular formula C12H17ClF3N3 and a molecular weight of 295.74 g/mol. Its IUPAC name is 6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID63730171
Molecular FormulaC12H17ClF3N3
Molecular Weight295.74 g/mol
Exact Mass295.11
IUPAC Name6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(CCC)CC(F)(F)F
InChIInChI=1S/C12H17ClF3N3/c1-3-5-9-10(13)17-8-18-11(9)19(6-4-2)7-12(14,15)16/h8H,3-7H2,1-2H3
InChIKeyNPPXURSRKVZXAX-UHFFFAOYSA-N
XLogP3.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-5-cyclopropylpyrimidin-4-amine
CID 46739895
4-Chloro-2-methyl-5-propylpyrimidine
CID 28064543
4-chloro-5H,6H,7H,8H,9H-pyrimido(4,5-b)azepine
CID 129929313
6-Chloro-5-(3-fluoropropyl)pyrimidin-4-amine
CID 123699533
4-Chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine
CID 140971488
4-Chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine
CID 141291417
(5R)-4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine
CID 141291429
4-Chloro-5-(4,4,4-trifluorobutyl)pyrimidine
CID 142493168
4-Chloro-6-fluoro-5-propylpyrimidine
CID 155572473
4,6-Dichloro-5-(1,1-difluoropropyl)pyrimidin-2-amine;ethane
CID 163248125
2,4-Dichloro-5-(3,3,3-trifluoropropyl)pyrimidine
CID 165402856
6-chloro-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 55228552

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 63730171) is 6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCc1c(Cl)ncnc1N(CCC)CC(F)(F)F.
What is the InChIKey of 6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is NPPXURSRKVZXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N3/c1-3-5-9-10(13)17-8-18-11(9)19(6-4-2)7-12(14,15)16/h8H,3-7H2,1-2H3.
What are the key properties of 6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 295.74 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,5-dipropyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 63730171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).