4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine

C11H20N4O — CID 80823623

IUPAC4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)CCCOC)c1C
InChIInChI=1S/C11H20N4O/c1-9-10(12-2)13-8-14-11(9)15(3)6-5-7-16-4/h8H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyBXWVQXKKDGBXPI-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.30
Rot. Bonds6

About 4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine

4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80823623) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
PubChem CID80823623
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)CCCOC)c1C
InChIInChI=1S/C11H20N4O/c1-9-10(12-2)13-8-14-11(9)15(3)6-5-7-16-4/h8H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyBXWVQXKKDGBXPI-UHFFFAOYSA-N
XLogP1.30
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.30
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

6-hydrazinyl-N-(3-methoxypropyl)-N,5-dimethylpyrimidin-4-amine
CID 80913732
4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80845427
4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80795868
4-N,6-N,5-trimethyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068634
5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107207443
2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80983794
4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80808426
6-chloro-N-(2-methoxyethyl)-N,5-dimethylpyrimidin-4-amine
CID 63728106
3-[2-methoxyethyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80829439
6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80859076
4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 81068418
N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 80636357

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (CID 80823623) is 4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is CNc1ncnc(N(C)CCCOC)c1C.
What is the InChIKey of 4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is BXWVQXKKDGBXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-10(12-2)13-8-14-11(9)15(3)6-5-7-16-4/h8H,5-7H2,1-4H3,(H,12,13,14).
What are the key properties of 4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80823623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).