4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane

C16H22F3N7 — CID 142483327

IUPAC4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane
SMILESC#N.CC1CC1.CCNc1nc(Nc2cn[nH]c2C)ncc1C(F)(F)F
InChIInChI=1S/C11H13F3N6.C4H8.CHN/c1-3-15-9-7(11(12,13)14)4-16-10(19-9)18-8-5-17-20-6(8)2;1-4-2-3-4;1-2/h4-5H,3H2,1-2H3,(H,17,20)(H2,15,16,18,19);4H,2-3H2,1H3;1H
InChIKeyXWXWVBDWANPTKR-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.26
Rot. Bonds4

About 4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane

4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane (PubChem CID 142483327) has the molecular formula C16H22F3N7 and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane.

Molecular Properties

Compound Name4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane
PubChem CID142483327
Molecular FormulaC16H22F3N7
Molecular Weight369.40 g/mol
Exact Mass369.19
IUPAC Name4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane
SMILESC#N.CC1CC1.CCNc1nc(Nc2cn[nH]c2C)ncc1C(F)(F)F
InChIInChI=1S/C11H13F3N6.C4H8.CHN/c1-3-15-9-7(11(12,13)14)4-16-10(19-9)18-8-5-17-20-6(8)2;1-4-2-3-4;1-2/h4-5H,3H2,1-2H3,(H,17,20)(H2,15,16,18,19);4H,2-3H2,1H3;1H
InChIKeyXWXWVBDWANPTKR-UHFFFAOYSA-N
XLogP4.26
TPSA102.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane?
The IUPAC name of 4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane (CID 142483327) is 4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane.
What is the SMILES notation for 4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane?
The canonical SMILES for 4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane is C#N.CC1CC1.CCNc1nc(Nc2cn[nH]c2C)ncc1C(F)(F)F.
What is the InChIKey of 4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane?
The InChIKey is XWXWVBDWANPTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6.C4H8.CHN/c1-3-15-9-7(11(12,13)14)4-16-10(19-9)18-8-5-17-20-6(8)2;1-4-2-3-4;1-2/h4-5H,3H2,1-2H3,(H,17,20)(H2,15,16,18,19);4H,2-3H2,1H3;1H.
What are the key properties of 4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane?
4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane has a molecular weight of 369.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;formonitrile;methylcyclopropane is sourced from PubChem (CID 142483327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).