2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C13H15F3N6 — CID 145419813

IUPAC2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccnn2C2CC2)ncc1C(F)(F)F
InChIInChI=1S/C13H15F3N6/c1-2-17-11-9(13(14,15)16)7-18-12(21-11)20-10-5-6-19-22(10)8-3-4-8/h5-8H,2-4H2,1H3,(H2,17,18,20,21)
InChIKeyUCDVXMZAFMRQSY-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.20
Rot. Bonds5

About 2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 145419813) has the molecular formula C13H15F3N6 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID145419813
Molecular FormulaC13H15F3N6
Molecular Weight312.30 g/mol
Exact Mass312.13
IUPAC Name2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccnn2C2CC2)ncc1C(F)(F)F
InChIInChI=1S/C13H15F3N6/c1-2-17-11-9(13(14,15)16)7-18-12(21-11)20-10-5-6-19-22(10)8-3-4-8/h5-8H,2-4H2,1H3,(H2,17,18,20,21)
InChIKeyUCDVXMZAFMRQSY-UHFFFAOYSA-N
XLogP3.20
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-cyclopropyl-5-methylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 165042689
4-N-ethyl-2-N-[5-methyl-1-[(2R)-2-methylcyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 146606154
2-N-[1-cyclopropyl-3-[1-(triazol-2-yl)cyclopropyl]pyrazol-5-yl]-4-N-(1,1,2,2,2-pentadeuterioethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 176936440
4-N-ethyl-2-N-[5-methyl-1-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-6-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 166596514
(2S)-2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]cyclopropane-1-carbonitrile
CID 146606155
methyl 2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylbutanoate
CID 145419864
2-N-(5-tert-butyl-1H-pyrazol-4-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141336709
(5S)-1-[5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-(trideuteriomethyl)pyrazol-3-yl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 155760168
2-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 145419887
2-N-[3-chloro-1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]pyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943343
2-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-3-methylpyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943539
2-N-[3-cyclopropyl-1-[(1S,2R)-2-methylcyclopropyl]pyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 146606632

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 145419813) is 2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(Nc2ccnn2C2CC2)ncc1C(F)(F)F.
What is the InChIKey of 2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is UCDVXMZAFMRQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6/c1-2-17-11-9(13(14,15)16)7-18-12(21-11)20-10-5-6-19-22(10)8-3-4-8/h5-8H,2-4H2,1H3,(H2,17,18,20,21).
What are the key properties of 2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 312.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopropylpyrazol-3-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 145419813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).