1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine

C11H20N4O2 — CID 106127490

IUPAC1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
SMILESCOc1cc(OC)nc(NCCCC(C)N)n1
InChIInChI=1S/C11H20N4O2/c1-8(12)5-4-6-13-11-14-9(16-2)7-10(15-11)17-3/h7-8H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyKYDBUUSAQPGJDI-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.03
Rot. Bonds7

About 1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine

1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine (PubChem CID 106127490) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
PubChem CID106127490
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
SMILESCOc1cc(OC)nc(NCCCC(C)N)n1
InChIInChI=1S/C11H20N4O2/c1-8(12)5-4-6-13-11-14-9(16-2)7-10(15-11)17-3/h7-8H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyKYDBUUSAQPGJDI-UHFFFAOYSA-N
XLogP1.03
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N-(6-methoxy-2-methylpyrimidin-4-yl)pentane-1,4-diamine
CID 106127472
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323661
4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 106012404
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 113292899
4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine
CID 106222455
1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594186
4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
CID 115749068
4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 115633959
1-N-(2,4,5-trimethoxyphenyl)pentane-1,4-diamine
CID 115203637
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613

Frequently Asked Questions

What is the IUPAC name of 1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine?
The IUPAC name of 1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine (CID 106127490) is 1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine is COc1cc(OC)nc(NCCCC(C)N)n1.
What is the InChIKey of 1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine?
The InChIKey is KYDBUUSAQPGJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(12)5-4-6-13-11-14-9(16-2)7-10(15-11)17-3/h7-8H,4-6,12H2,1-3H3,(H,13,14,15).
What are the key properties of 1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine?
1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine has a molecular weight of 240.31 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine is sourced from PubChem (CID 106127490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).