7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C12H15N5O — CID 10847953

IUPAC7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCNc1ncnc2c1c(C#N)cn2COCC
InChIInChI=1S/C12H15N5O/c1-3-14-11-10-9(5-13)6-17(8-18-4-2)12(10)16-7-15-11/h6-7H,3-4,8H2,1-2H3,(H,14,15,16)
InChIKeyUMVMWSWTTHONLZ-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.73
Rot. Bonds5

About 7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 10847953) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID10847953
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCCNc1ncnc2c1c(C#N)cn2COCC
InChIInChI=1S/C12H15N5O/c1-3-14-11-10-9(5-13)6-17(8-18-4-2)12(10)16-7-15-11/h6-7H,3-4,8H2,1-2H3,(H,14,15,16)
InChIKeyUMVMWSWTTHONLZ-UHFFFAOYSA-N
XLogP1.73
TPSA75.76 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 10847953) is 7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is CCNc1ncnc2c1c(C#N)cn2COCC.
What is the InChIKey of 7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is UMVMWSWTTHONLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-14-11-10-9(5-13)6-17(8-18-4-2)12(10)16-7-15-11/h6-7H,3-4,8H2,1-2H3,(H,14,15,16).
What are the key properties of 7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 245.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethyl)-4-(ethylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 10847953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).