5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine

C19H20N6 — CID 57404839

IUPAC5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2ccnc(Nc3ccccc3)n2)c(CC2CC2)n1
InChIInChI=1S/C19H20N6/c1-20-18-22-12-15(17(25-18)11-13-7-8-13)16-9-10-21-19(24-16)23-14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,20,22,25)(H,21,23,24)
InChIKeyLEIZJNDAZKJPJU-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.67
Rot. Bonds6

About 5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine

5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine (PubChem CID 57404839) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine
PubChem CID57404839
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2ccnc(Nc3ccccc3)n2)c(CC2CC2)n1
InChIInChI=1S/C19H20N6/c1-20-18-22-12-15(17(25-18)11-13-7-8-13)16-9-10-21-19(24-16)23-14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,20,22,25)(H,21,23,24)
InChIKeyLEIZJNDAZKJPJU-UHFFFAOYSA-N
XLogP3.67
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine (CID 57404839) is 5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine is CNc1ncc(-c2ccnc(Nc3ccccc3)n2)c(CC2CC2)n1.
What is the InChIKey of 5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine?
The InChIKey is LEIZJNDAZKJPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-20-18-22-12-15(17(25-18)11-13-7-8-13)16-9-10-21-19(24-16)23-14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,20,22,25)(H,21,23,24).
What are the key properties of 5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine?
5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilinopyrimidin-4-yl)-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 57404839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).