N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine

C12H16N4O — CID 112638153

IUPACN-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(Nn2c(C)ccc2C)n1
InChIInChI=1S/C12H16N4O/c1-4-17-11-7-8-13-12(14-11)15-16-9(2)5-6-10(16)3/h5-8H,4H2,1-3H3,(H,13,14,15)
InChIKeyWTSYXSXZWWCTLP-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.17
Rot. Bonds4

About N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine

N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine (PubChem CID 112638153) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine
PubChem CID112638153
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(Nn2c(C)ccc2C)n1
InChIInChI=1S/C12H16N4O/c1-4-17-11-7-8-13-12(14-11)15-16-9(2)5-6-10(16)3/h5-8H,4H2,1-3H3,(H,13,14,15)
InChIKeyWTSYXSXZWWCTLP-UHFFFAOYSA-N
XLogP2.17
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 106418608
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine
CID 112638736
4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 112636949
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine
CID 112637466
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 112636913
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639273
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639440

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine (CID 112638153) is N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine is CCOc1ccnc(Nn2c(C)ccc2C)n1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine?
The InChIKey is WTSYXSXZWWCTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-17-11-7-8-13-12(14-11)15-16-9(2)5-6-10(16)3/h5-8H,4H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine?
N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112638153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).