2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine

C20H19N5OS — CID 118733462

IUPAC2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc(-c2ccccc2)sc1CNc1ccnc(NCc2ccco2)n1
InChIInChI=1S/C20H19N5OS/c1-14-17(27-19(24-14)15-6-3-2-4-7-15)13-22-18-9-10-21-20(25-18)23-12-16-8-5-11-26-16/h2-11H,12-13H2,1H3,(H2,21,22,23,25)
InChIKeyGSXNSCYGXFIGDO-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.73
Rot. Bonds7

About 2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine

2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 118733462) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID118733462
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc(-c2ccccc2)sc1CNc1ccnc(NCc2ccco2)n1
InChIInChI=1S/C20H19N5OS/c1-14-17(27-19(24-14)15-6-3-2-4-7-15)13-22-18-9-10-21-20(25-18)23-12-16-8-5-11-26-16/h2-11H,12-13H2,1H3,(H2,21,22,23,25)
InChIKeyGSXNSCYGXFIGDO-UHFFFAOYSA-N
XLogP4.73
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 118733462) is 2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1nc(-c2ccccc2)sc1CNc1ccnc(NCc2ccco2)n1.
What is the InChIKey of 2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is GSXNSCYGXFIGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-14-17(27-19(24-14)15-6-3-2-4-7-15)13-22-18-9-10-21-20(25-18)23-12-16-8-5-11-26-16/h2-11H,12-13H2,1H3,(H2,21,22,23,25).
What are the key properties of 2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 377.47 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 118733462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).