4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide

C13H20BrN7O — CID 143255876

IUPAC4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide
SMILES[H]/N=C(\Br)c1c(N)ncnc1N1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C13H20BrN7O/c1-19(2)9(22)7-20-3-5-21(6-4-20)13-10(11(14)15)12(16)17-8-18-13/h8,15H,3-7H2,1-2H3,(H2,16,17,18)/b15-11-
InChIKeyLPOMWSIKSKOPPQ-PTNGSMBKSA-N
MW370.26 g/mol
LogP-0.01
Rot. Bonds4

About 4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide

4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide (PubChem CID 143255876) has the molecular formula C13H20BrN7O and a molecular weight of 370.26 g/mol. Its IUPAC name is 4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide.

Molecular Properties

Compound Name4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide
PubChem CID143255876
Molecular FormulaC13H20BrN7O
Molecular Weight370.26 g/mol
Exact Mass369.09
IUPAC Name4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide
SMILES[H]/N=C(\Br)c1c(N)ncnc1N1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C13H20BrN7O/c1-19(2)9(22)7-20-3-5-21(6-4-20)13-10(11(14)15)12(16)17-8-18-13/h8,15H,3-7H2,1-2H3,(H2,16,17,18)/b15-11-
InChIKeyLPOMWSIKSKOPPQ-PTNGSMBKSA-N
XLogP-0.01
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-[4-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide
CID 143055909
4-amino-6-[4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide
CID 88572279
4-amino-6-[4-(4-chloro-N-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]anilino)piperidin-1-yl]pyrimidine-5-carboximidoyl bromide
CID 143255923
4-amino-6-[4-[5-bromo-2-methyl-3-(2-pyrrolidin-1-ylethylamino)phenyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide
CID 143149417
4-amino-6-[4-[N-(3-aminopropyl)-4-chloroanilino]piperidin-1-yl]pyrimidine-5-carboximidoyl bromide
CID 88572123
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 36846949
4-amino-6-[4-[1-(4-chlorophenyl)-4-(5-ethyl-4-tricyclo[2.1.1.01,3]hexanyl)butyl]piperidin-1-yl]pyrimidine-5-carboximidoyl bromide
CID 143255886
4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide
CID 146520719
N-(3-aminopropyl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43253640
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-methylpyrimidin-4-amine
CID 80825002
N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 87015920
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 134704499

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide?
The IUPAC name of 4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide (CID 143255876) is 4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide.
What is the SMILES notation for 4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide?
The canonical SMILES for 4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide is [H]/N=C(\Br)c1c(N)ncnc1N1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide?
The InChIKey is LPOMWSIKSKOPPQ-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H20BrN7O/c1-19(2)9(22)7-20-3-5-21(6-4-20)13-10(11(14)15)12(16)17-8-18-13/h8,15H,3-7H2,1-2H3,(H2,16,17,18)/b15-11-.
What are the key properties of 4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide?
4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide has a molecular weight of 370.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboximidoyl bromide is sourced from PubChem (CID 143255876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).