4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine

C19H19N7 — CID 71529249

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C19H19N7/c1-4-15-14(5-7-20-15)9-12(1)11-22-19-21-8-6-17(24-19)23-18-10-16(25-26-18)13-2-3-13/h1,4-10,13,20H,2-3,11H2,(H3,21,22,23,24,25,26)
InChIKeyMERRGQWRCCBKDB-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.91
Rot. Bonds6

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 71529249) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
PubChem CID71529249
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C19H19N7/c1-4-15-14(5-7-20-15)9-12(1)11-22-19-21-8-6-17(24-19)23-18-10-16(25-26-18)13-2-3-13/h1,4-10,13,20H,2-3,11H2,(H3,21,22,23,24,25,26)
InChIKeyMERRGQWRCCBKDB-UHFFFAOYSA-N
XLogP3.91
TPSA94.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine (CID 71529249) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine is c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ccc3[nH]ccc3c2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is MERRGQWRCCBKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-4-15-14(5-7-20-15)9-12(1)11-22-19-21-8-6-17(24-19)23-18-10-16(25-26-18)13-2-3-13/h1,4-10,13,20H,2-3,11H2,(H3,21,22,23,24,25,26).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 345.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71529249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).