N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine

C15H28N4O — CID 83185919

IUPACN-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
SMILESCCOCCN(CC)c1ncc(CNC(C)C)c(C)n1
InChIInChI=1S/C15H28N4O/c1-6-19(8-9-20-7-2)15-17-11-14(13(5)18-15)10-16-12(3)4/h11-12,16H,6-10H2,1-5H3
InChIKeySCKCNNYXXQNLJA-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.15
Rot. Bonds9

About N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine

N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine (PubChem CID 83185919) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
PubChem CID83185919
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
SMILESCCOCCN(CC)c1ncc(CNC(C)C)c(C)n1
InChIInChI=1S/C15H28N4O/c1-6-19(8-9-20-7-2)15-17-11-14(13(5)18-15)10-16-12(3)4/h11-12,16H,6-10H2,1-5H3
InChIKeySCKCNNYXXQNLJA-UHFFFAOYSA-N
XLogP2.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.15
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

N-ethyl-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185946
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine
CID 83189627
N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83186097
N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine
CID 102997398
4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206482
N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 107401794
N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185887
[2-(diethylamino)-4-methylpyrimidin-5-yl]methanol
CID 83183758
N,N-dibutyl-4-methyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83185864
N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206481

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine (CID 83185919) is N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine is CCOCCN(CC)c1ncc(CNC(C)C)c(C)n1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The InChIKey is SCKCNNYXXQNLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-19(8-9-20-7-2)15-17-11-14(13(5)18-15)10-16-12(3)4/h11-12,16H,6-10H2,1-5H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 83185919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).