2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine

C19H23N7 — CID 59757837

IUPAC2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCN)cc2)n1
InChIInChI=1S/C19H23N7/c1-12-10-17(23-18-11-16(25-26-18)14-4-5-14)24-19(21-12)22-15-6-2-13(3-7-15)8-9-20/h2-3,6-7,10-11,14H,4-5,8-9,20H2,1H3,(H3,21,22,23,24,25,26)
InChIKeyNKDWCAHNAHYCSS-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.37
Rot. Bonds7

About 2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine

2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine (PubChem CID 59757837) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine
PubChem CID59757837
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCN)cc2)n1
InChIInChI=1S/C19H23N7/c1-12-10-17(23-18-11-16(25-26-18)14-4-5-14)24-19(21-12)22-15-6-2-13(3-7-15)8-9-20/h2-3,6-7,10-11,14H,4-5,8-9,20H2,1H3,(H3,21,22,23,24,25,26)
InChIKeyNKDWCAHNAHYCSS-UHFFFAOYSA-N
XLogP3.37
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine (CID 59757837) is 2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCN)cc2)n1.
What is the InChIKey of 2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is NKDWCAHNAHYCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-12-10-17(23-18-11-16(25-26-18)14-4-5-14)24-19(21-12)22-15-6-2-13(3-7-15)8-9-20/h2-3,6-7,10-11,14H,4-5,8-9,20H2,1H3,(H3,21,22,23,24,25,26).
What are the key properties of 2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine?
2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 349.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 59757837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).