4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine

C12H15N5O — CID 112636949

IUPAC4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccnc(C)n2)n1
InChIInChI=1S/C12H15N5O/c1-3-18-11-5-7-14-12(17-11)15-8-10-4-6-13-9(2)16-10/h4-7H,3,8H2,1-2H3,(H,14,15,17)
InChIKeyDREIUADSUIEUKV-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.59
Rot. Bonds5

About 4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine

4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine (PubChem CID 112636949) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
PubChem CID112636949
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccnc(C)n2)n1
InChIInChI=1S/C12H15N5O/c1-3-18-11-5-7-14-12(17-11)15-8-10-4-6-13-9(2)16-10/h4-7H,3,8H2,1-2H3,(H,14,15,17)
InChIKeyDREIUADSUIEUKV-UHFFFAOYSA-N
XLogP1.59
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine (CID 112636949) is 4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine is CCOc1ccnc(NCc2ccnc(C)n2)n1.
What is the InChIKey of 4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is DREIUADSUIEUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-18-11-5-7-14-12(17-11)15-8-10-4-6-13-9(2)16-10/h4-7H,3,8H2,1-2H3,(H,14,15,17).
What are the key properties of 4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine?
4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 245.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112636949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).