N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine

C19H24N8O2 — CID 166243700

IUPACN'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine
SMILESCc1noc2ncnc(NCCCCCCN(C)c3ncnc4onc(C)c34)c12
InChIInChI=1S/C19H24N8O2/c1-12-14-16(21-10-23-18(14)28-25-12)20-8-6-4-5-7-9-27(3)17-15-13(2)26-29-19(15)24-11-22-17/h10-11H,4-9H2,1-3H3,(H,20,21,23)
InChIKeyRIQMXHJVNDMFSF-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.27
Rot. Bonds9

About N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine

N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine (PubChem CID 166243700) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine
PubChem CID166243700
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC NameN'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine
SMILESCc1noc2ncnc(NCCCCCCN(C)c3ncnc4onc(C)c34)c12
InChIInChI=1S/C19H24N8O2/c1-12-14-16(21-10-23-18(14)28-25-12)20-8-6-4-5-7-9-27(3)17-15-13(2)26-29-19(15)24-11-22-17/h10-11H,4-9H2,1-3H3,(H,20,21,23)
InChIKeyRIQMXHJVNDMFSF-UHFFFAOYSA-N
XLogP3.27
TPSA118.89 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72890067
N'-benzyl-N'-ethyl-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 20924698
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92692303
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72922068
3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924743
4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol
CID 100758402
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 126779509
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92692302
2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine
CID 115306338
3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 55172610
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72882715
N-[(4-aminophenyl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 116650493

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine (CID 166243700) is N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine is Cc1noc2ncnc(NCCCCCCN(C)c3ncnc4onc(C)c34)c12.
What is the InChIKey of N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine?
The InChIKey is RIQMXHJVNDMFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-12-14-16(21-10-23-18(14)28-25-12)20-8-6-4-5-7-9-27(3)17-15-13(2)26-29-19(15)24-11-22-17/h10-11H,4-9H2,1-3H3,(H,20,21,23).
What are the key properties of N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine?
N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine has a molecular weight of 396.46 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N,N'-bis(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 166243700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).