2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine

C15H26N4O — CID 80957495

IUPAC2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CCOCC)nc(C2CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-16-13-11-14(18-15(17-13)12-7-8-12)19(5-2)9-10-20-6-3/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyFOTFPPKKBWDLRG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.65
Rot. Bonds9

About 2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine (PubChem CID 80957495) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine
PubChem CID80957495
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CCOCC)nc(C2CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-16-13-11-14(18-15(17-13)12-7-8-12)19(5-2)9-10-20-6-3/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyFOTFPPKKBWDLRG-UHFFFAOYSA-N
XLogP2.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.65
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

2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80967980
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine
CID 80961233
4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 82943791
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol
CID 80961332
4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80942751
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80958227
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068249
2-tert-butyl-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80957345
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107495067
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80958721
4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967225

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine (CID 80957495) is 2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine is CCNc1cc(N(CC)CCOCC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine?
The InChIKey is FOTFPPKKBWDLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-16-13-11-14(18-15(17-13)12-7-8-12)19(5-2)9-10-20-6-3/h11-12H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80957495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).