N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

C18H15N5O2 — CID 50985542

IUPACN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NCc2cc(-c3ccco3)on2)nc(-c2cccnc2)n1
InChIInChI=1S/C18H15N5O2/c1-12-8-17(22-18(21-12)13-4-2-6-19-10-13)20-11-14-9-16(25-23-14)15-5-3-7-24-15/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyOJHCRPSCGFGRHP-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.71
Rot. Bonds5

About N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 50985542) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID50985542
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NCc2cc(-c3ccco3)on2)nc(-c2cccnc2)n1
InChIInChI=1S/C18H15N5O2/c1-12-8-17(22-18(21-12)13-4-2-6-19-10-13)20-11-14-9-16(25-23-14)15-5-3-7-24-15/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyOJHCRPSCGFGRHP-UHFFFAOYSA-N
XLogP3.71
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 50985542) is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is Cc1cc(NCc2cc(-c3ccco3)on2)nc(-c2cccnc2)n1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is OJHCRPSCGFGRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-12-8-17(22-18(21-12)13-4-2-6-19-10-13)20-11-14-9-16(25-23-14)15-5-3-7-24-15/h2-10H,11H2,1H3,(H,20,21,22).
What are the key properties of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 333.35 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 50985542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).