4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine

C12H17N3O — CID 106231121

IUPAC4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine
SMILESC#CC(CC)Nc1nc(C)cc(OCC)n1
InChIInChI=1S/C12H17N3O/c1-5-10(6-2)14-12-13-9(4)8-11(15-12)16-7-3/h1,8,10H,6-7H2,2-4H3,(H,13,14,15)
InChIKeyUYIKLRQUTDRIEH-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.01
Rot. Bonds5

About 4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine

4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine (PubChem CID 106231121) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine
PubChem CID106231121
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine
SMILESC#CC(CC)Nc1nc(C)cc(OCC)n1
InChIInChI=1S/C12H17N3O/c1-5-10(6-2)14-12-13-9(4)8-11(15-12)16-7-3/h1,8,10H,6-7H2,2-4H3,(H,13,14,15)
InChIKeyUYIKLRQUTDRIEH-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451
(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 114982569
4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 112637254
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635580
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
4-ethoxy-6-methyl-N-piperidin-1-ylpyrimidin-2-amine
CID 112638433
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
6-bromo-2-N-pent-1-yn-3-ylpyrimidine-2,4-diamine
CID 106233091
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635793

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine (CID 106231121) is 4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine is C#CC(CC)Nc1nc(C)cc(OCC)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine?
The InChIKey is UYIKLRQUTDRIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-5-10(6-2)14-12-13-9(4)8-11(15-12)16-7-3/h1,8,10H,6-7H2,2-4H3,(H,13,14,15).
What are the key properties of 4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine?
4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine has a molecular weight of 219.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine is sourced from PubChem (CID 106231121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).