4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

C15H17ClF3N5 — CID 22541308

IUPAC4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESCCC(C)Nc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N
InChIInChI=1S/C15H17ClF3N5/c1-3-8(2)23-13-12(20)14(22-7-21-13)24-11-6-9(15(17,18)19)4-5-10(11)16/h4-8H,3,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyCMQHFXCYVDSGFT-UHFFFAOYSA-N
MW359.78 g/mol
LogP4.68
Rot. Bonds5

About 4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine

4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (PubChem CID 22541308) has the molecular formula C15H17ClF3N5 and a molecular weight of 359.78 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
PubChem CID22541308
Molecular FormulaC15H17ClF3N5
Molecular Weight359.78 g/mol
Exact Mass359.11
IUPAC Name4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESCCC(C)Nc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N
InChIInChI=1S/C15H17ClF3N5/c1-3-8(2)23-13-12(20)14(22-7-21-13)24-11-6-9(15(17,18)19)4-5-10(11)16/h4-8H,3,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyCMQHFXCYVDSGFT-UHFFFAOYSA-N
XLogP4.68
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 22541138
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 22541281
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22541228
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22541112
6-N-(4-bromophenyl)-4-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541226
4-[[5-amino-6-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 22541316
6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine
CID 63735092
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22541164
4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546528
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22541163
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-phenoxypyrimidine-4,5-diamine
CID 22541271
4-N-butan-2-yl-2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112908993

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (CID 22541308) is 4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is CCC(C)Nc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N.
What is the InChIKey of 4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The InChIKey is CMQHFXCYVDSGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N5/c1-3-8(2)23-13-12(20)14(22-7-21-13)24-11-6-9(15(17,18)19)4-5-10(11)16/h4-8H,3,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine has a molecular weight of 359.78 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22541308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).