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

C15H26N4O — CID 80992976

IUPAC4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(N(C)CCOCC2CC2)n1
InChIInChI=1S/C15H26N4O/c1-5-13-17-14(16-3)11(2)15(18-13)19(4)8-9-20-10-12-6-7-12/h12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyYSMDULFZNIMIKZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.25
Rot. Bonds8

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

4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80992976) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
PubChem CID80992976
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(N(C)CCOCC2CC2)n1
InChIInChI=1S/C15H26N4O/c1-5-13-17-14(16-3)11(2)15(18-13)19(4)8-9-20-10-12-6-7-12/h12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyYSMDULFZNIMIKZ-UHFFFAOYSA-N
XLogP2.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.25
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-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol
CID 114243866
4-N-(2-ethoxyethyl)-2-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 81067549
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80851876
2-ethyl-6-hydrazinyl-N-(2-methoxyethyl)-N,5-dimethylpyrimidin-4-amine
CID 80994434
2-ethyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80993377
2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993390
4-N-(cyclohexylmethyl)-4-N,6-N,5-trimethyl-2-propylpyrimidine-4,6-diamine
CID 80987928
4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80798270
N-(cyclobutylmethyl)-2-ethyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006190
4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80838133
2-chloro-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,6-dimethylpyrimidine-4,5-diamine
CID 114043906
2-ethyl-4-N-(2-methoxyethyl)-6-N,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80987716

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (CID 80992976) is 4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(N(C)CCOCC2CC2)n1.
What is the InChIKey of 4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is YSMDULFZNIMIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-13-17-14(16-3)11(2)15(18-13)19(4)8-9-20-10-12-6-7-12/h12H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.25, 8 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]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80992976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).