4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C10H10F3N5 — CID 156698674

IUPAC4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc[nH]c2)ncc1C(F)(F)F
InChIInChI=1S/C10H10F3N5/c1-14-8-7(10(11,12)13)5-16-9(18-8)17-6-2-3-15-4-6/h2-5,15H,1H3,(H2,14,16,17,18)
InChIKeyCARFNCAANPZPQY-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.61
Rot. Bonds3

About 4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 156698674) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID156698674
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cc[nH]c2)ncc1C(F)(F)F
InChIInChI=1S/C10H10F3N5/c1-14-8-7(10(11,12)13)5-16-9(18-8)17-6-2-3-15-4-6/h2-5,15H,1H3,(H2,14,16,17,18)
InChIKeyCARFNCAANPZPQY-UHFFFAOYSA-N
XLogP2.61
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 156698674) is 4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cc[nH]c2)ncc1C(F)(F)F.
What is the InChIKey of 4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is CARFNCAANPZPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-14-8-7(10(11,12)13)5-16-9(18-8)17-6-2-3-15-4-6/h2-5,15H,1H3,(H2,14,16,17,18).
What are the key properties of 4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 257.22 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 156698674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).