6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine

C11H21N5O — CID 80823224

IUPAC6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)CCCOC)nc(N)n1
InChIInChI=1S/C11H21N5O/c1-4-13-9-8-10(15-11(12)14-9)16(2)6-5-7-17-3/h8H,4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyNSLKNQKHIFCIHN-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.96
Rot. Bonds7

About 6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80823224) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine
PubChem CID80823224
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(C)CCCOC)nc(N)n1
InChIInChI=1S/C11H21N5O/c1-4-13-9-8-10(15-11(12)14-9)16(2)6-5-7-17-3/h8H,4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyNSLKNQKHIFCIHN-UHFFFAOYSA-N
XLogP0.96
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.96
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

6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
CID 80847003
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4,6-triamine
CID 80820365
2-N-ethyl-6-N-(3-methoxypropyl)-6-N-methylpyridine-2,6-diamine
CID 80823032
4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
CID 113401240
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine
CID 102998829
6-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775663
2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80957701
6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 80767341
4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80825415
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80799499
6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
CID 154902244

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine (CID 80823224) is 6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine is CCNc1cc(N(C)CCCOC)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is NSLKNQKHIFCIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-13-9-8-10(15-11(12)14-9)16(2)6-5-7-17-3/h8H,4-7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 239.32 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80823224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).