4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine

C16H28N4O — CID 106015138

IUPAC4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCCC2CCCC2)nc(COC)n1
InChIInChI=1S/C16H28N4O/c1-3-17-14-11-15(20-16(19-14)12-21-2)18-10-6-9-13-7-4-5-8-13/h11,13H,3-10,12H2,1-2H3,(H2,17,18,19,20)
InChIKeyQUAFHSOCNNUCNF-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.44
Rot. Bonds9

About 4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine

4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine (PubChem CID 106015138) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
PubChem CID106015138
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCCC2CCCC2)nc(COC)n1
InChIInChI=1S/C16H28N4O/c1-3-17-14-11-15(20-16(19-14)12-21-2)18-10-6-9-13-7-4-5-8-13/h11,13H,3-10,12H2,1-2H3,(H2,17,18,19,20)
InChIKeyQUAFHSOCNNUCNF-UHFFFAOYSA-N
XLogP3.44
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80955141
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934
4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80791193
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890
3-[[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137938
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine
CID 113467592
[2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106367984
1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674447
6-N-ethyl-2-(methoxymethyl)-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065321
4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
CID 107403005
6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine
CID 114137347

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine (CID 106015138) is 4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine is CCNc1cc(NCCCC2CCCC2)nc(COC)n1.
What is the InChIKey of 4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine?
The InChIKey is QUAFHSOCNNUCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-17-14-11-15(20-16(19-14)12-21-2)18-10-6-9-13-7-4-5-8-13/h11,13H,3-10,12H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine?
4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106015138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).