2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine

C11H20N4O — CID 106181686

IUPAC2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine
SMILESCCc1cc(NC(CN)COC)nc(C)n1
InChIInChI=1S/C11H20N4O/c1-4-9-5-11(14-8(2)13-9)15-10(6-12)7-16-3/h5,10H,4,6-7,12H2,1-3H3,(H,13,14,15)
InChIKeyYBDUYTDLDXQUOM-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.73
Rot. Bonds6

About 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine

2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine (PubChem CID 106181686) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine
PubChem CID106181686
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine
SMILESCCc1cc(NC(CN)COC)nc(C)n1
InChIInChI=1S/C11H20N4O/c1-4-9-5-11(14-8(2)13-9)15-10(6-12)7-16-3/h5,10H,4,6-7,12H2,1-3H3,(H,13,14,15)
InChIKeyYBDUYTDLDXQUOM-UHFFFAOYSA-N
XLogP0.73
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078586
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine
CID 114208177
3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 106154692
(2S)-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxy-2-methylpropanamide
CID 164638276
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine
CID 106357683
3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine
CID 106182176
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357883
N-(1-chloro-3-methoxypropan-2-yl)-6-methoxy-2-methylpyrimidin-4-amine
CID 106181967
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine
CID 114154931
2-N-(6-ethoxypyrazin-2-yl)-3-methoxypropane-1,2-diamine
CID 106182379
3-methoxy-2-N-(6-methoxypyrazin-2-yl)propane-1,2-diamine
CID 106181983

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine?
The IUPAC name of 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine (CID 106181686) is 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine.
What is the SMILES notation for 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine?
The canonical SMILES for 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine is CCc1cc(NC(CN)COC)nc(C)n1.
What is the InChIKey of 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine?
The InChIKey is YBDUYTDLDXQUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-9-5-11(14-8(2)13-9)15-10(6-12)7-16-3/h5,10H,4,6-7,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine?
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine has a molecular weight of 224.31 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine is sourced from PubChem (CID 106181686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).