1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine

C9H16N4O — CID 115303807

IUPAC1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
SMILESCOc1cc(NCC(C)(C)N)ncn1
InChIInChI=1S/C9H16N4O/c1-9(2,10)5-11-7-4-8(14-3)13-6-12-7/h4,6H,5,10H2,1-3H3,(H,11,12,13)
InChIKeyBVXOWORADPSSFX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.63
Rot. Bonds4

About 1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine

1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine (PubChem CID 115303807) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
PubChem CID115303807
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
SMILESCOc1cc(NCC(C)(C)N)ncn1
InChIInChI=1S/C9H16N4O/c1-9(2,10)5-11-7-4-8(14-3)13-6-12-7/h4,6H,5,10H2,1-3H3,(H,11,12,13)
InChIKeyBVXOWORADPSSFX-UHFFFAOYSA-N
XLogP0.63
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine
CID 115366138
1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 104917606
N-[2-(chloromethyl)-2-ethylbutyl]-6-methoxypyrimidin-4-amine
CID 106252726
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
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-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 66327238
6-methoxy-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 66325791
N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
CID 107846090
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N-ethyl-2-[(6-methoxypyrimidin-4-yl)amino]acetamide
CID 66327427

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine (CID 115303807) is 1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine is COc1cc(NCC(C)(C)N)ncn1.
What is the InChIKey of 1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine?
The InChIKey is BVXOWORADPSSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,10)5-11-7-4-8(14-3)13-6-12-7/h4,6H,5,10H2,1-3H3,(H,11,12,13).
What are the key properties of 1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine?
1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115303807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).