N-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine

C13H17N5O3S — CID 25114408

IUPACN-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine
SMILESCC(C)S(=O)(=O)N1CCc2ncnc(Nc3ccon3)c2C1
InChIInChI=1S/C13H17N5O3S/c1-9(2)22(19,20)18-5-3-11-10(7-18)13(15-8-14-11)16-12-4-6-21-17-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15,16,17)
InChIKeySDJPTSZNFLTHRL-UHFFFAOYSA-N
MW323.38 g/mol
LogP1.30
Rot. Bonds4

About N-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine

N-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine (PubChem CID 25114408) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine
PubChem CID25114408
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC NameN-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine
SMILESCC(C)S(=O)(=O)N1CCc2ncnc(Nc3ccon3)c2C1
InChIInChI=1S/C13H17N5O3S/c1-9(2)22(19,20)18-5-3-11-10(7-18)13(15-8-14-11)16-12-4-6-21-17-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15,16,17)
InChIKeySDJPTSZNFLTHRL-UHFFFAOYSA-N
XLogP1.30
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine?
The IUPAC name of N-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine (CID 25114408) is N-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for N-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine?
The canonical SMILES for N-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine is CC(C)S(=O)(=O)N1CCc2ncnc(Nc3ccon3)c2C1.
What is the InChIKey of N-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine?
The InChIKey is SDJPTSZNFLTHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-9(2)22(19,20)18-5-3-11-10(7-18)13(15-8-14-11)16-12-4-6-21-17-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine?
N-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine has a molecular weight of 323.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propan-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 25114408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).