4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine

C13H23N3O3 — CID 106012404

IUPAC4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCCCOC(C)C)n1
InChIInChI=1S/C13H23N3O3/c1-10(2)19-8-6-5-7-14-13-15-11(17-3)9-12(16-13)18-4/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyFDMHDOVFDHJKJG-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.11
Rot. Bonds9

About 4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine

4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine (PubChem CID 106012404) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
PubChem CID106012404
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCCCOC(C)C)n1
InChIInChI=1S/C13H23N3O3/c1-10(2)19-8-6-5-7-14-13-15-11(17-3)9-12(16-13)18-4/h9-10H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyFDMHDOVFDHJKJG-UHFFFAOYSA-N
XLogP2.11
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
CID 115749068
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)pentane-1,5-diamine
CID 107323661
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
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 104844363
6-chloro-2-N-(4-propan-2-yloxybutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 106014722
1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594186
4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 82460947
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine (CID 106012404) is 4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine is COc1cc(OC)nc(NCCCCOC(C)C)n1.
What is the InChIKey of 4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine?
The InChIKey is FDMHDOVFDHJKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(2)19-8-6-5-7-14-13-15-11(17-3)9-12(16-13)18-4/h9-10H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of 4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine?
4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine has a molecular weight of 269.34 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine is sourced from PubChem (CID 106012404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).