4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine

C10H18N4O — CID 80765107

IUPAC4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCOC)ncn1
InChIInChI=1S/C10H18N4O/c1-3-4-11-9-7-10(14-8-13-9)12-5-6-15-2/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyFEFYLCMSKONWQJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds7

About 4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine

4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80765107) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80765107
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCOC)ncn1
InChIInChI=1S/C10H18N4O/c1-3-4-11-9-7-10(14-8-13-9)12-5-6-15-2/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyFEFYLCMSKONWQJ-UHFFFAOYSA-N
XLogP1.36
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.36
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

6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80813222
3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157111
4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 114098683
4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856745
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80790691
4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856738
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856761
6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine
CID 104663227
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80815004
6-N-(2-methoxyethyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 94672485

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine (CID 80765107) is 4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCCOC)ncn1.
What is the InChIKey of 4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is FEFYLCMSKONWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-4-11-9-7-10(14-8-13-9)12-5-6-15-2/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80765107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).