6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine

C10H13N3O — CID 66326862

IUPAC6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
SMILESC#CCNc1ncnc(OCC)c1C
InChIInChI=1S/C10H13N3O/c1-4-6-11-9-8(3)10(14-5-2)13-7-12-9/h1,7H,5-6H2,2-3H3,(H,11,12,13)
InChIKeyBBOQMMVPKCUUAC-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.23
Rot. Bonds4

About 6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine

6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine (PubChem CID 66326862) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
PubChem CID66326862
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
SMILESC#CCNc1ncnc(OCC)c1C
InChIInChI=1S/C10H13N3O/c1-4-6-11-9-8(3)10(14-5-2)13-7-12-9/h1,7H,5-6H2,2-3H3,(H,11,12,13)
InChIKeyBBOQMMVPKCUUAC-UHFFFAOYSA-N
XLogP1.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.23
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

6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine
CID 106795508
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
6-ethoxy-5-methyl-N-pent-3-ynylpyrimidin-4-amine
CID 116644552
1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 66327090
N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326640
N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 113457874
6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine
CID 114116966
N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326004
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523
1-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169732
methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
CID 66326780

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine (CID 66326862) is 6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine is C#CCNc1ncnc(OCC)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine?
The InChIKey is BBOQMMVPKCUUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-6-11-9-8(3)10(14-5-2)13-7-12-9/h1,7H,5-6H2,2-3H3,(H,11,12,13).
What are the key properties of 6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine?
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine has a molecular weight of 191.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine is sourced from PubChem (CID 66326862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).