1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine

C9H13N5O — CID 83833742

IUPAC1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCc1nc(NCC(C)N)c2cnoc2n1
InChIInChI=1S/C9H13N5O/c1-5(10)3-11-8-7-4-12-15-9(7)14-6(2)13-8/h4-5H,3,10H2,1-2H3,(H,11,13,14)
InChIKeyWBZJSGSLXKJTNK-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.69
Rot. Bonds3

About 1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine

1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine (PubChem CID 83833742) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine
PubChem CID83833742
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCc1nc(NCC(C)N)c2cnoc2n1
InChIInChI=1S/C9H13N5O/c1-5(10)3-11-8-7-4-12-15-9(7)14-6(2)13-8/h4-5H,3,10H2,1-2H3,(H,11,13,14)
InChIKeyWBZJSGSLXKJTNK-UHFFFAOYSA-N
XLogP0.69
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine
CID 83830095
1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine
CID 83838851
1-N-([1,2]oxazolo[4,5-c]pyridin-6-yl)propane-1,2-diamine
CID 83830113
1-N-(6-methyl-1,2-benzoxazol-3-yl)propane-1,2-diamine
CID 83832898
2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 59765899
1-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 82022327
4-[[(2S)-2-aminopropyl]amino]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387795
1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine
CID 83833739
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
6-hydrazinyl-2,5-dimethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80918838
3-(2-aminopropylamino)pyrazine-2-carbonitrile
CID 63731086
4-ethyl-6-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine
CID 130335993

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine (CID 83833742) is 1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine is Cc1nc(NCC(C)N)c2cnoc2n1.
What is the InChIKey of 1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is WBZJSGSLXKJTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-5(10)3-11-8-7-4-12-15-9(7)14-6(2)13-8/h4-5H,3,10H2,1-2H3,(H,11,13,14).
What are the key properties of 1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine?
1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 207.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 83833742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).