N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine

C10H18N4O — CID 115366138

IUPACN'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine
SMILESCOc1cc(NCC(C)(C)CN)ncn1
InChIInChI=1S/C10H18N4O/c1-10(2,5-11)6-12-8-4-9(15-3)14-7-13-8/h4,7H,5-6,11H2,1-3H3,(H,12,13,14)
InChIKeyAEXUYIKLNUDJHP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.88
Rot. Bonds5

About N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine

N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 115366138) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine
PubChem CID115366138
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine
SMILESCOc1cc(NCC(C)(C)CN)ncn1
InChIInChI=1S/C10H18N4O/c1-10(2,5-11)6-12-8-4-9(15-3)14-7-13-8/h4,7H,5-6,11H2,1-3H3,(H,12,13,14)
InChIKeyAEXUYIKLNUDJHP-UHFFFAOYSA-N
XLogP0.88
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 115303807
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 104917606
N-[2-(chloromethyl)-2-ethylbutyl]-6-methoxypyrimidin-4-amine
CID 106252726
6-methoxy-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 66325791
3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 66327238
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 103153890
N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
CID 107846090
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958

Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine (CID 115366138) is N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine is COc1cc(NCC(C)(C)CN)ncn1.
What is the InChIKey of N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is AEXUYIKLNUDJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,5-11)6-12-8-4-9(15-3)14-7-13-8/h4,7H,5-6,11H2,1-3H3,(H,12,13,14).
What are the key properties of N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine?
N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115366138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).