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

C10H18N4O — CID 112683349

IUPACN-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccnc(NCCCN(C)C)n1
InChIInChI=1S/C10H18N4O/c1-14(2)8-4-6-11-10-12-7-5-9(13-10)15-3/h5,7H,4,6,8H2,1-3H3,(H,11,12,13)
InChIKeyLYJGOGCJJPIDEK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.85
Rot. Bonds6

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

N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 112683349) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID112683349
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccnc(NCCCN(C)C)n1
InChIInChI=1S/C10H18N4O/c1-14(2)8-4-6-11-10-12-7-5-9(13-10)15-3/h5,7H,4,6,8H2,1-3H3,(H,11,12,13)
InChIKeyLYJGOGCJJPIDEK-UHFFFAOYSA-N
XLogP0.85
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 113292899
4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 115637365
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
CID 103858568
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N-but-3-ynyl-4-methoxypyrimidin-2-amine
CID 112690842
2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 116795730
2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112887794
4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115628502
N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine
CID 112551949

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine (CID 112683349) is N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine is COc1ccnc(NCCCN(C)C)n1.
What is the InChIKey of N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is LYJGOGCJJPIDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14(2)8-4-6-11-10-12-7-5-9(13-10)15-3/h5,7H,4,6,8H2,1-3H3,(H,11,12,13).
What are the key properties of N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112683349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).