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

C12H17N5O — CID 102738836

IUPACtrans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
SMILESCc1noc2ncnc(N[C@@H]3CCCC[C@H]3N)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)/t8-,9-/m1/s1
InChIKeyOVDMGHSGHHMYPK-RKDXNWHRSA-N
MW247.30 g/mol
LogP1.61
Rot. Bonds2

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

trans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine (PubChem CID 102738836) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
PubChem CID102738836
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Nametrans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
SMILESCc1noc2ncnc(N[C@@H]3CCCC[C@H]3N)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)/t8-,9-/m1/s1
InChIKeyOVDMGHSGHHMYPK-RKDXNWHRSA-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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Related Compounds

2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
CID 63276878
3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 63277144
N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 70785850
N-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 95897596
trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
CID 93453704
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine
CID 102686849
trans-(1R,2R)-2-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,2-diamine
CID 98534065
3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924743
1-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclopentane-1,2-diamine
CID 63617225
3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 55172610
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46280325
2-N-thieno[3,2-d]pyrimidin-4-ylcyclohexane-1,2-diamine
CID 61037130

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine (CID 102738836) is trans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine is Cc1noc2ncnc(N[C@@H]3CCCC[C@H]3N)c12.
What is the InChIKey of trans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine?
The InChIKey is OVDMGHSGHHMYPK-RKDXNWHRSA-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)/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine?
trans-(1R,2R)-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 trans-(1R,2R)-2-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 102738836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).