2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile

C7H7ClN4 — CID 22390612

IUPAC2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile
SMILESCCNc1nc(Cl)ncc1C#N
InChIInChI=1S/C7H7ClN4/c1-2-10-6-5(3-9)4-11-7(8)12-6/h4H,2H2,1H3,(H,10,11,12)
InChIKeyFUOXREHHVBLXAU-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.43
Rot. Bonds2

About 2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile

2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile (PubChem CID 22390612) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile
PubChem CID22390612
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile
SMILESCCNc1nc(Cl)ncc1C#N
InChIInChI=1S/C7H7ClN4/c1-2-10-6-5(3-9)4-11-7(8)12-6/h4H,2H2,1H3,(H,10,11,12)
InChIKeyFUOXREHHVBLXAU-UHFFFAOYSA-N
XLogP1.43
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile (CID 22390612) is 2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile is CCNc1nc(Cl)ncc1C#N.
What is the InChIKey of 2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile?
The InChIKey is FUOXREHHVBLXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-2-10-6-5(3-9)4-11-7(8)12-6/h4H,2H2,1H3,(H,10,11,12).
What are the key properties of 2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile?
2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile has a molecular weight of 182.61 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(ethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 22390612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).