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

C15H15BrN6O — CID 59758092

IUPAC5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESBrc1cnc(NCc2ccco2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H15BrN6O/c16-11-8-18-15(17-7-10-2-1-5-23-10)20-14(11)19-13-6-12(21-22-13)9-3-4-9/h1-2,5-6,8-9H,3-4,7H2,(H3,17,18,19,20,21,22)
InChIKeyYYYHTTFKBINVMV-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.79
Rot. Bonds6

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

5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 59758092) has the molecular formula C15H15BrN6O and a molecular weight of 375.23 g/mol. Its IUPAC name is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID59758092
Molecular FormulaC15H15BrN6O
Molecular Weight375.23 g/mol
Exact Mass374.05
IUPAC Name5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESBrc1cnc(NCc2ccco2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C15H15BrN6O/c16-11-8-18-15(17-7-10-2-1-5-23-10)20-14(11)19-13-6-12(21-22-13)9-3-4-9/h1-2,5-6,8-9H,3-4,7H2,(H3,17,18,19,20,21,22)
InChIKeyYYYHTTFKBINVMV-UHFFFAOYSA-N
XLogP3.79
TPSA91.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (CID 59758092) is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is Brc1cnc(NCc2ccco2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is YYYHTTFKBINVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O/c16-11-8-18-15(17-7-10-2-1-5-23-10)20-14(11)19-13-6-12(21-22-13)9-3-4-9/h1-2,5-6,8-9H,3-4,7H2,(H3,17,18,19,20,21,22).
What are the key properties of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 375.23 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59758092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).