2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine

C11H19N3O — CID 106815248

IUPAC2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(CCOCC)n1
InChIInChI=1S/C11H19N3O/c1-3-7-12-10-5-8-13-11(14-10)6-9-15-4-2/h5,8H,3-4,6-7,9H2,1-2H3,(H,12,13,14)
InChIKeyKYTYTRCXUAPBFX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.88
Rot. Bonds7

About 2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine

2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine (PubChem CID 106815248) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
PubChem CID106815248
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(CCOCC)n1
InChIInChI=1S/C11H19N3O/c1-3-7-12-10-5-8-13-11(14-10)6-9-15-4-2/h5,8H,3-4,6-7,9H2,1-2H3,(H,12,13,14)
InChIKeyKYTYTRCXUAPBFX-UHFFFAOYSA-N
XLogP1.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-ethoxyethyl)pyrimidin-4-yl]methanamine
CID 106815490
2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
CID 79089264
4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine
CID 80792890
N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 106815497
2-(2-ethoxyethyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 106815334
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine
CID 62191844
N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine
CID 80944662
2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 65141597
N-methyl-2-propylpyrimidin-4-amine
CID 62192009
4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80942751
4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine (CID 106815248) is 2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(CCOCC)n1.
What is the InChIKey of 2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine?
The InChIKey is KYTYTRCXUAPBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-7-12-10-5-8-13-11(14-10)6-9-15-4-2/h5,8H,3-4,6-7,9H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine?
2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine has a molecular weight of 209.29 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106815248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).