N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine

C14H25N3O — CID 80654217

IUPACN-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(C)nc(COCCCC(C)C)n1
InChIInChI=1S/C14H25N3O/c1-5-15-13-9-12(4)16-14(17-13)10-18-8-6-7-11(2)3/h9,11H,5-8,10H2,1-4H3,(H,15,16,17)
InChIKeyPINULMUDTFCOBR-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.17
Rot. Bonds8

About N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine

N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine (PubChem CID 80654217) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine
PubChem CID80654217
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(C)nc(COCCCC(C)C)n1
InChIInChI=1S/C14H25N3O/c1-5-15-13-9-12(4)16-14(17-13)10-18-8-6-7-11(2)3/h9,11H,5-8,10H2,1-4H3,(H,15,16,17)
InChIKeyPINULMUDTFCOBR-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(heptoxymethyl)-6-methylpyrimidin-4-amine
CID 80654218
4-chloro-6-methyl-2-(4-methylpentoxymethyl)pyrimidine
CID 80663438
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589
5-chloro-N-ethyl-6-(4-methylpentoxymethyl)pyridin-2-amine
CID 62885644
N-ethyl-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidin-4-amine
CID 80654868
2-[(4-chlorophenyl)methoxymethyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80653921
N,6-dimethyl-2-(2-methylpentoxymethyl)pyrimidin-4-amine
CID 103285313
2-(2-cyclopropylethoxymethyl)-N,6-dimethylpyrimidin-4-amine
CID 106205209
N-ethyl-2-[(3-ethylcyclohexyl)oxymethyl]-6-methylpyrimidin-4-amine
CID 80654787
N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150288
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 62191071

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine (CID 80654217) is N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine is CCNc1cc(C)nc(COCCCC(C)C)n1.
What is the InChIKey of N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine?
The InChIKey is PINULMUDTFCOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-15-13-9-12(4)16-14(17-13)10-18-8-6-7-11(2)3/h9,11H,5-8,10H2,1-4H3,(H,15,16,17).
What are the key properties of N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine?
N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-(4-methylpentoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 80654217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).