5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride

C7H11ClN4 — CID 175114731

IUPAC5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride
SMILESCl.[H]/N=C/c1cnc(N(C)C)nc1
InChIInChI=1S/C7H10N4.ClH/c1-11(2)7-9-4-6(3-8)5-10-7;/h3-5,8H,1-2H3;1H/b8-3+;
InChIKeySGGAEDYABYOUMW-DCDCITSCSA-N
MW186.65 g/mol
LogP0.96
Rot. Bonds2

About 5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride

5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride (PubChem CID 175114731) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride
PubChem CID175114731
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride
SMILESCl.[H]/N=C/c1cnc(N(C)C)nc1
InChIInChI=1S/C7H10N4.ClH/c1-11(2)7-9-4-6(3-8)5-10-7;/h3-5,8H,1-2H3;1H/b8-3+;
InChIKeySGGAEDYABYOUMW-DCDCITSCSA-N
XLogP0.96
TPSA52.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
4-Amino-2-methylpyrimidine-5-carbonitrile
CID 69682
2,5-Dimethylpyrimidin-4-Amine
CID 445779
4-Amino-5-pyrimidinecarbonitrile
CID 737208
Hydrazinopyrimidine-5-carbonitrile
CID 1478409
2-Pyrimidinamine, 5-chloro-
CID 79479
2-Chloro-5-(trifluoromethyl)pyrimidine
CID 13317019
2-Amino-5-bromopyrimidine
CID 231310
2,4-Diaminopyrimidine-5-carbonitrile
CID 282115
Pyrimidine, 2,4-dichloro-5-methyl-
CID 74508
5-Methylpyrimidine
CID 74859
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438

Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride?
The IUPAC name of 5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride (CID 175114731) is 5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride?
The canonical SMILES for 5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride is Cl.[H]/N=C/c1cnc(N(C)C)nc1.
What is the InChIKey of 5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride?
The InChIKey is SGGAEDYABYOUMW-DCDCITSCSA-N. The full InChI is InChI=1S/C7H10N4.ClH/c1-11(2)7-9-4-6(3-8)5-10-7;/h3-5,8H,1-2H3;1H/b8-3+;.
What are the key properties of 5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride?
5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride has a molecular weight of 186.65 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 175114731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).