N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C12H14N6O — CID 72877069

IUPACN,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1cnc(CN(C)c2ncnc3oc(C)nc23)[nH]1
InChIInChI=1S/C12H14N6O/c1-7-4-13-9(16-7)5-18(3)11-10-12(15-6-14-11)19-8(2)17-10/h4,6H,5H2,1-3H3,(H,13,16)
InChIKeyWEPRGSREVGOXOR-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.59
Rot. Bonds3

About N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 72877069) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID72877069
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC NameN,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1cnc(CN(C)c2ncnc3oc(C)nc23)[nH]1
InChIInChI=1S/C12H14N6O/c1-7-4-13-9(16-7)5-18(3)11-10-12(15-6-14-11)19-8(2)17-10/h4,6H,5H2,1-3H3,(H,13,16)
InChIKeyWEPRGSREVGOXOR-UHFFFAOYSA-N
XLogP1.59
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 72877069) is N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is Cc1cnc(CN(C)c2ncnc3oc(C)nc23)[nH]1.
What is the InChIKey of N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is WEPRGSREVGOXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-7-4-13-9(16-7)5-18(3)11-10-12(15-6-14-11)19-8(2)17-10/h4,6H,5H2,1-3H3,(H,13,16).
What are the key properties of N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 258.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 72877069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).