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

C12H17N5O — CID 63276878

IUPAC2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
SMILESCc1noc2ncnc(NC3CCCCC3N)c12
InChIInChI=1S/C12H17N5O/c1-7-10-11(14-6-15-12(10)18-17-7)16-9-5-3-2-4-8(9)13/h6,8-9H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyOVDMGHSGHHMYPK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.61
Rot. Bonds2

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

2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine (PubChem CID 63276878) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
PubChem CID63276878
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
SMILESCc1noc2ncnc(NC3CCCCC3N)c12
InChIInChI=1S/C12H17N5O/c1-7-10-11(14-6-15-12(10)18-17-7)16-9-5-3-2-4-8(9)13/h6,8-9H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyOVDMGHSGHHMYPK-UHFFFAOYSA-N
XLogP1.61
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine (CID 63276878) is 2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine is Cc1noc2ncnc(NC3CCCCC3N)c12.
What is the InChIKey of 2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine?
The InChIKey is OVDMGHSGHHMYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7-10-11(14-6-15-12(10)18-17-7)16-9-5-3-2-4-8(9)13/h6,8-9H,2-5,13H2,1H3,(H,14,15,16).
What are the key properties of 2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine?
2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine has a molecular weight of 247.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 63276878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).