4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine

C16H30N4O — CID 80942751

IUPAC4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)CCOCC)nc(CCC)n1
InChIInChI=1S/C16H30N4O/c1-5-9-14-18-15(17-10-6-2)13-16(19-14)20(7-3)11-12-21-8-4/h13H,5-12H2,1-4H3,(H,17,18,19)
InChIKeyNMHVCYVXDHMLJX-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.11
Rot. Bonds11

About 4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine

4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine (PubChem CID 80942751) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine
PubChem CID80942751
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)CCOCC)nc(CCC)n1
InChIInChI=1S/C16H30N4O/c1-5-9-14-18-15(17-10-6-2)13-16(19-14)20(7-3)11-12-21-8-4/h13H,5-12H2,1-4H3,(H,17,18,19)
InChIKeyNMHVCYVXDHMLJX-UHFFFAOYSA-N
XLogP3.11
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.11
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,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312
4-N-(2-ethoxyethyl)-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 81068419
6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine
CID 80941613
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
2-[ethyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 103104455
2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80957495
2-tert-butyl-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80957345
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80955285
4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 82943791
4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954589
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
6-N-methyl-4-N,4-N,2-tripropylpyrimidine-4,6-diamine
CID 80946205

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine (CID 80942751) is 4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine is CCCNc1cc(N(CC)CCOCC)nc(CCC)n1.
What is the InChIKey of 4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine?
The InChIKey is NMHVCYVXDHMLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-9-14-18-15(17-10-6-2)13-16(19-14)20(7-3)11-12-21-8-4/h13H,5-12H2,1-4H3,(H,17,18,19).
What are the key properties of 4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine?
4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.11, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80942751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).