N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine

C11H20N4O2 — CID 107323661

IUPACN'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine
SMILESCOc1cc(OC)nc(NCCCCCN)n1
InChIInChI=1S/C11H20N4O2/c1-16-9-8-10(17-2)15-11(14-9)13-7-5-3-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyNHIZVXKPCJKLKV-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.03
Rot. Bonds8

About N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine

N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine (PubChem CID 107323661) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine
PubChem CID107323661
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine
SMILESCOc1cc(OC)nc(NCCCCCN)n1
InChIInChI=1S/C11H20N4O2/c1-16-9-8-10(17-2)15-11(14-9)13-7-5-3-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyNHIZVXKPCJKLKV-UHFFFAOYSA-N
XLogP1.03
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
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

N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
CID 106127490
N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 113292899
4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 106012404
4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
CID 115749068
4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine
CID 106222455
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine
CID 107323427
7-[(4-methoxy-6-methylpyrimidin-2-yl)amino]heptanoic acid
CID 112634346
4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
CID 112636843
1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594186

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine?
The IUPAC name of N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine (CID 107323661) is N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine?
The canonical SMILES for N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine is COc1cc(OC)nc(NCCCCCN)n1.
What is the InChIKey of N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine?
The InChIKey is NHIZVXKPCJKLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-16-9-8-10(17-2)15-11(14-9)13-7-5-3-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,14,15).
What are the key properties of N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine?
N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine has a molecular weight of 240.31 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 107323661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).