N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C15H14N4O — CID 100657928

IUPACN-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(C2(CNc3ncnc4oncc34)CC2)cc1
InChIInChI=1S/C15H14N4O/c1-2-4-11(5-3-1)15(6-7-15)9-16-13-12-8-19-20-14(12)18-10-17-13/h1-5,8,10H,6-7,9H2,(H,16,17,18)
InChIKeyULBPTQKXUMQDSD-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.76
Rot. Bonds4

About N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 100657928) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID100657928
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(C2(CNc3ncnc4oncc34)CC2)cc1
InChIInChI=1S/C15H14N4O/c1-2-4-11(5-3-1)15(6-7-15)9-16-13-12-8-19-20-14(12)18-10-17-13/h1-5,8,10H,6-7,9H2,(H,16,17,18)
InChIKeyULBPTQKXUMQDSD-UHFFFAOYSA-N
XLogP2.76
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 100657928) is N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is c1ccc(C2(CNc3ncnc4oncc34)CC2)cc1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ULBPTQKXUMQDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-4-11(5-3-1)15(6-7-15)9-16-13-12-8-19-20-14(12)18-10-17-13/h1-5,8,10H,6-7,9H2,(H,16,17,18).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 266.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 100657928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).