N-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C15H18N4O2 — CID 50984490

IUPACN-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCCCCN(Cc1ccco1)c1ncnc2oc(C)nc12
InChIInChI=1S/C15H18N4O2/c1-3-4-7-19(9-12-6-5-8-20-12)14-13-15(17-10-16-14)21-11(2)18-13/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyZAQIHJVYSUXQDT-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.33
Rot. Bonds6

About N-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

N-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 50984490) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID50984490
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCCCCN(Cc1ccco1)c1ncnc2oc(C)nc12
InChIInChI=1S/C15H18N4O2/c1-3-4-7-19(9-12-6-5-8-20-12)14-13-15(17-10-16-14)21-11(2)18-13/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyZAQIHJVYSUXQDT-UHFFFAOYSA-N
XLogP3.33
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 50984490) is N-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is CCCCN(Cc1ccco1)c1ncnc2oc(C)nc12.
What is the InChIKey of N-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is ZAQIHJVYSUXQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-4-7-19(9-12-6-5-8-20-12)14-13-15(17-10-16-14)21-11(2)18-13/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of N-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
N-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 286.33 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(furan-2-ylmethyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 50984490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).