N,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C15H20N6O — CID 72870106

IUPACN,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc(N(C)CCCc2nccn2C)c2nc(C)oc2n1
InChIInChI=1S/C15H20N6O/c1-10-17-14(13-15(18-10)22-11(2)19-13)21(4)8-5-6-12-16-7-9-20(12)3/h7,9H,5-6,8H2,1-4H3
InChIKeyVKVMQKCPABPMLH-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.04
Rot. Bonds5

About N,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

N,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 72870106) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID72870106
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc(N(C)CCCc2nccn2C)c2nc(C)oc2n1
InChIInChI=1S/C15H20N6O/c1-10-17-14(13-15(18-10)22-11(2)19-13)21(4)8-5-6-12-16-7-9-20(12)3/h7,9H,5-6,8H2,1-4H3
InChIKeyVKVMQKCPABPMLH-UHFFFAOYSA-N
XLogP2.04
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 72870106) is N,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is Cc1nc(N(C)CCCc2nccn2C)c2nc(C)oc2n1.
What is the InChIKey of N,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is VKVMQKCPABPMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-10-17-14(13-15(18-10)22-11(2)19-13)21(4)8-5-6-12-16-7-9-20(12)3/h7,9H,5-6,8H2,1-4H3.
What are the key properties of N,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
N,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 300.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 72870106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).