4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C14H14F3N5O — CID 118905528

IUPAC4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOc1cncc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)c1
InChIInChI=1S/C14H14F3N5O/c1-23-10-4-9(5-18-6-10)21-13-19-7-11(14(15,16)17)12(22-13)20-8-2-3-8/h4-8H,2-3H2,1H3,(H2,19,20,21,22)
InChIKeyYSCYSYZEYWGLFD-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.22
Rot. Bonds5

About 4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 118905528) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID118905528
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOc1cncc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)c1
InChIInChI=1S/C14H14F3N5O/c1-23-10-4-9(5-18-6-10)21-13-19-7-11(14(15,16)17)12(22-13)20-8-2-3-8/h4-8H,2-3H2,1H3,(H2,19,20,21,22)
InChIKeyYSCYSYZEYWGLFD-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-(5-Methoxy-2-(6-methoxypyridin-3-ylamino)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 59548371
US10266549, Example 344
CID 118908140
3-(3-Aminopropoxy)-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 150997095
2-N-[4-methoxy-6-(oxan-4-yl)-3-pyridinyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 71460831
5-[[4-(Methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-(1-methylpiperidin-4-yl)oxypyridine-2-carbonitrile
CID 164608965
5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-[(3S)-piperidin-3-yl]oxypyridine-2-carbonitrile
CID 164609438
5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyridine-2-carbonitrile
CID 164611425
5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-[(3R)-piperidin-3-yl]oxypyridine-2-carbonitrile
CID 164618132
5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-[[(3R)-piperidin-3-yl]methoxy]pyridine-2-carbonitrile
CID 164619184
5-[[4-(Methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-(piperidin-4-ylmethoxy)pyridine-2-carbonitrile
CID 164619289
5-[[4-(Methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-piperidin-4-yloxypyridine-2-carbonitrile
CID 164619688
5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-[(3S)-pyrrolidin-3-yl]oxypyridine-2-carbonitrile
CID 164625755

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 118905528) is 4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is COc1cncc(Nc2ncc(C(F)(F)F)c(NC3CC3)n2)c1.
What is the InChIKey of 4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is YSCYSYZEYWGLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-23-10-4-9(5-18-6-10)21-13-19-7-11(14(15,16)17)12(22-13)20-8-2-3-8/h4-8H,2-3H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-cyclopropyl-2-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-(5-methoxy-3-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-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118905528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).