4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine

C16H28N4O — CID 80838133

IUPAC4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(C)CCOCC1CC1
InChIInChI=1S/C16H28N4O/c1-4-6-14-15(17-5-2)18-12-19-16(14)20(3)9-10-21-11-13-7-8-13/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyYEJFTKQQTQCHPO-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.72
Rot. Bonds10

About 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80838133) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80838133
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(C)CCOCC1CC1
InChIInChI=1S/C16H28N4O/c1-4-6-14-15(17-5-2)18-12-19-16(14)20(3)9-10-21-11-13-7-8-13/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyYEJFTKQQTQCHPO-UHFFFAOYSA-N
XLogP2.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.72
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

4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80851876
6-N-ethyl-4-N,4-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80765941
4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine
CID 80834161
5-bromo-4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 114072576
4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 81067670
4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80799799
6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine
CID 82746096
5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80852163
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
CID 80771706
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80775365
4-N-(cyclopropylmethyl)-4-N-ethyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839740
4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 81068418

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80838133) is 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1N(C)CCOCC1CC1.
What is the InChIKey of 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is YEJFTKQQTQCHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-6-14-15(17-5-2)18-12-19-16(14)20(3)9-10-21-11-13-7-8-13/h12-13H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80838133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).