1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine

C9H13N5O — CID 83833739

IUPAC1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine
SMILESCc1noc2cnc(NCC(C)N)nc12
InChIInChI=1S/C9H13N5O/c1-5(10)3-11-9-12-4-7-8(13-9)6(2)14-15-7/h4-5H,3,10H2,1-2H3,(H,11,12,13)
InChIKeyYRCJTQCMFLWLGH-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.69
Rot. Bonds3

About 1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine

1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine (PubChem CID 83833739) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine
PubChem CID83833739
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine
SMILESCc1noc2cnc(NCC(C)N)nc12
InChIInChI=1S/C9H13N5O/c1-5(10)3-11-9-12-4-7-8(13-9)6(2)14-15-7/h4-5H,3,10H2,1-2H3,(H,11,12,13)
InChIKeyYRCJTQCMFLWLGH-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-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
CID 104606339
2-N,4-N,6-N-tris(2-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 59765899
1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine
CID 116974283
1-N-(thiadiazolo[5,4-d]pyrimidin-5-yl)propane-1,2-diamine
CID 83834802
(3-methyl-[1,2]oxazolo[4,5-b]pyridin-5-yl)hydrazine
CID 12793492
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
1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine
CID 175594161
2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
5-bromo-3-methyl-[1,2]oxazolo[4,5-b]pyridine
CID 82394304
1-N-(6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 83833742
1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine
CID 152579208

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine (CID 83833739) is 1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine is Cc1noc2cnc(NCC(C)N)nc12.
What is the InChIKey of 1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine?
The InChIKey is YRCJTQCMFLWLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-5(10)3-11-9-12-4-7-8(13-9)6(2)14-15-7/h4-5H,3,10H2,1-2H3,(H,11,12,13).
What are the key properties of 1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine?
1-N-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-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-(3-methyl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)propane-1,2-diamine is sourced from PubChem (CID 83833739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).