N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C17H21N5O — CID 72850747

IUPACN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NC(CC(C)(C)C)c3cccnc3)c12
InChIInChI=1S/C17H21N5O/c1-11-14-15(19-10-20-16(14)23-22-11)21-13(8-17(2,3)4)12-6-5-7-18-9-12/h5-7,9-10,13H,8H2,1-4H3,(H,19,20,21)
InChIKeyONKFSKGMUAIGNS-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.91
Rot. Bonds4

About N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 72850747) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID72850747
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1noc2ncnc(NC(CC(C)(C)C)c3cccnc3)c12
InChIInChI=1S/C17H21N5O/c1-11-14-15(19-10-20-16(14)23-22-11)21-13(8-17(2,3)4)12-6-5-7-18-9-12/h5-7,9-10,13H,8H2,1-4H3,(H,19,20,21)
InChIKeyONKFSKGMUAIGNS-UHFFFAOYSA-N
XLogP3.91
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 72850747) is N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1noc2ncnc(NC(CC(C)(C)C)c3cccnc3)c12.
What is the InChIKey of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ONKFSKGMUAIGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11-14-15(19-10-20-16(14)23-22-11)21-13(8-17(2,3)4)12-6-5-7-18-9-12/h5-7,9-10,13H,8H2,1-4H3,(H,19,20,21).
What are the key properties of N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 311.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72850747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).