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

C14H14BrN7S — CID 59758105

IUPAC5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
SMILESBrc1cnc(NCc2nccs2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H14BrN7S/c15-9-6-17-14(18-7-12-16-3-4-23-12)20-13(9)19-11-5-10(21-22-11)8-1-2-8/h3-6,8H,1-2,7H2,(H3,17,18,19,20,21,22)
InChIKeyMZMKIVXIGODSTK-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.65
Rot. Bonds6

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

5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 59758105) has the molecular formula C14H14BrN7S and a molecular weight of 392.29 g/mol. Its IUPAC name is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID59758105
Molecular FormulaC14H14BrN7S
Molecular Weight392.29 g/mol
Exact Mass391.02
IUPAC Name5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
SMILESBrc1cnc(NCc2nccs2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H14BrN7S/c15-9-6-17-14(18-7-12-16-3-4-23-12)20-13(9)19-11-5-10(21-22-11)8-1-2-8/h3-6,8H,1-2,7H2,(H3,17,18,19,20,21,22)
InChIKeyMZMKIVXIGODSTK-UHFFFAOYSA-N
XLogP3.65
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine (CID 59758105) is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine is Brc1cnc(NCc2nccs2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is MZMKIVXIGODSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN7S/c15-9-6-17-14(18-7-12-16-3-4-23-12)20-13(9)19-11-5-10(21-22-11)8-1-2-8/h3-6,8H,1-2,7H2,(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-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 392.29 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59758105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).