N,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C14H18N6O — CID 72910281

IUPACN,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N(C)CCn2ccnc2C)c2c(C)noc2n1
InChIInChI=1S/C14H18N6O/c1-9-12-13(16-10(2)17-14(12)21-18-9)19(4)7-8-20-6-5-15-11(20)3/h5-6H,7-8H2,1-4H3
InChIKeyRMYIHPOIVPKSSB-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.88
Rot. Bonds4

About N,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 72910281) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID72910281
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(N(C)CCn2ccnc2C)c2c(C)noc2n1
InChIInChI=1S/C14H18N6O/c1-9-12-13(16-10(2)17-14(12)21-18-9)19(4)7-8-20-6-5-15-11(20)3/h5-6H,7-8H2,1-4H3
InChIKeyRMYIHPOIVPKSSB-UHFFFAOYSA-N
XLogP1.88
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 72910281) is N,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1nc(N(C)CCn2ccnc2C)c2c(C)noc2n1.
What is the InChIKey of N,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is RMYIHPOIVPKSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-9-12-13(16-10(2)17-14(12)21-18-9)19(4)7-8-20-6-5-15-11(20)3/h5-6H,7-8H2,1-4H3.
What are the key properties of N,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72910281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).