4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C14H14F3N5O — CID 118905630

IUPAC4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)n1
InChIInChI=1S/C14H14F3N5O/c1-23-11-4-2-3-10(20-11)21-13-18-7-9(14(15,16)17)12(22-13)19-8-5-6-8/h2-4,7-8H,5-6H2,1H3,(H2,18,19,20,21,22)
InChIKeyPCCIHOLQUAZUBY-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.22
Rot. Bonds5

About 4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 118905630) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID118905630
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)n1
InChIInChI=1S/C14H14F3N5O/c1-23-11-4-2-3-10(20-11)21-13-18-7-9(14(15,16)17)12(22-13)19-8-5-6-8/h2-4,7-8H,5-6H2,1H3,(H2,18,19,20,21,22)
InChIKeyPCCIHOLQUAZUBY-UHFFFAOYSA-N
XLogP3.22
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]-2-pyrimidinamine
CID 138755794
4-(3-Methoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9950111
6-(pyridin-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 11381980
4-(3-Methoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 22732443
4-(2-Methoxypyridin-3-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25131556
4-(2-(6-Methoxypyridin-3-ylamino)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 49784892
4-(4-(6-Methoxypyridin-3-ylamino)pyrimidin-5-yl)-6-methyl-1,3,5-triazin-2-amine
CID 59548283
4-(2-(5-Fluoro-6-methoxypyridin-3-ylamino)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 59548376
US10266549, Example 230
CID 118905528
US10450297, Example 93
CID 57584743
4-N-(cyclopropylmethyl)-6-pyridin-2-yl-2-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 118716405
2-N-methyl-6-pyridin-2-yl-4-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 118716415

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 118905630) is 4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is COc1cccc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is PCCIHOLQUAZUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-23-11-4-2-3-10(20-11)21-13-18-7-9(14(15,16)17)12(22-13)19-8-5-6-8/h2-4,7-8H,5-6H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 325.29 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-(6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118905630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).