4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile

C11H12ClN5 — CID 18753214

IUPAC4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(NC2CC2)nc1NC1CC1
InChIInChI=1S/C11H12ClN5/c12-9-8(5-13)10(14-6-1-2-6)17-11(16-9)15-7-3-4-7/h6-7H,1-4H2,(H2,14,15,16,17)
InChIKeyHMDFMDVFIGRZHB-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.15
Rot. Bonds4

About 4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile

4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile (PubChem CID 18753214) has the molecular formula C11H12ClN5 and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile
PubChem CID18753214
Molecular FormulaC11H12ClN5
Molecular Weight249.70 g/mol
Exact Mass249.08
IUPAC Name4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(NC2CC2)nc1NC1CC1
InChIInChI=1S/C11H12ClN5/c12-9-8(5-13)10(14-6-1-2-6)17-11(16-9)15-7-3-4-7/h6-7H,1-4H2,(H2,14,15,16,17)
InChIKeyHMDFMDVFIGRZHB-UHFFFAOYSA-N
XLogP2.15
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile (CID 18753214) is 4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile is N#Cc1c(Cl)nc(NC2CC2)nc1NC1CC1.
What is the InChIKey of 4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile?
The InChIKey is HMDFMDVFIGRZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c12-9-8(5-13)10(14-6-1-2-6)17-11(16-9)15-7-3-4-7/h6-7H,1-4H2,(H2,14,15,16,17).
What are the key properties of 4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile?
4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile has a molecular weight of 249.70 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-bis(cyclopropylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 18753214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).