1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C11H20N4O — CID 114600511

IUPAC1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOc1cnc(NCC(C)(C)N(C)C)nc1
InChIInChI=1S/C11H20N4O/c1-11(2,15(3)4)8-14-10-12-6-9(16-5)7-13-10/h6-7H,8H2,1-5H3,(H,12,13,14)
InChIKeyHANCSXWUROFDPP-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.24
Rot. Bonds5

About 1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 114600511) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID114600511
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOc1cnc(NCC(C)(C)N(C)C)nc1
InChIInChI=1S/C11H20N4O/c1-11(2,15(3)4)8-14-10-12-6-9(16-5)7-13-10/h6-7H,8H2,1-5H3,(H,12,13,14)
InChIKeyHANCSXWUROFDPP-UHFFFAOYSA-N
XLogP1.24
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106504055
1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 114600677
3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278290
5-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
CID 114600318
N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 114600534
5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine
CID 114600442
5-methoxy-N-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine
CID 114600775
5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 114600577
N-[(1-fluorocyclopropyl)methyl]-5-methoxypyrimidin-2-amine
CID 130978395
ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate
CID 114600536
N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine
CID 114600639
1-N-(6-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 63590945

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 114600511) is 1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is COc1cnc(NCC(C)(C)N(C)C)nc1.
What is the InChIKey of 1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is HANCSXWUROFDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,15(3)4)8-14-10-12-6-9(16-5)7-13-10/h6-7H,8H2,1-5H3,(H,12,13,14).
What are the key properties of 1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 114600511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).