2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine

C10H14ClN7 — CID 15828716

IUPAC2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/c1nc(N(C)C)nc(Cl)c1C#N
InChIInChI=1S/C10H14ClN7/c1-17(2)9(13)15-8-6(5-12)7(11)14-10(16-8)18(3)4/h1-4H3,(H2,13,14,15,16)
InChIKeyIDPPPMVMCRODPC-UHFFFAOYSA-N
MW267.72 g/mol
LogP0.58
Rot. Bonds2

About 2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine

2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine (PubChem CID 15828716) has the molecular formula C10H14ClN7 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine
PubChem CID15828716
Molecular FormulaC10H14ClN7
Molecular Weight267.72 g/mol
Exact Mass267.10
IUPAC Name2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine
SMILESCN(C)/C(N)=N/c1nc(N(C)C)nc(Cl)c1C#N
InChIInChI=1S/C10H14ClN7/c1-17(2)9(13)15-8-6(5-12)7(11)14-10(16-8)18(3)4/h1-4H3,(H2,13,14,15,16)
InChIKeyIDPPPMVMCRODPC-UHFFFAOYSA-N
XLogP0.58
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine?
The IUPAC name of 2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine (CID 15828716) is 2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine?
The canonical SMILES for 2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine is CN(C)/C(N)=N/c1nc(N(C)C)nc(Cl)c1C#N.
What is the InChIKey of 2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine?
The InChIKey is IDPPPMVMCRODPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7/c1-17(2)9(13)15-8-6(5-12)7(11)14-10(16-8)18(3)4/h1-4H3,(H2,13,14,15,16).
What are the key properties of 2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine?
2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine has a molecular weight of 267.72 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine is sourced from PubChem (CID 15828716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).