4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide

C11H17BrN6 — CID 146520719

IUPAC4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide
SMILES[H]/N=C(\Br)c1c(N)ncnc1NC1CCCN(C)C1
InChIInChI=1S/C11H17BrN6/c1-18-4-2-3-7(5-18)17-11-8(9(12)13)10(14)15-6-16-11/h6-7,13H,2-5H2,1H3,(H3,14,15,16,17)/b13-9-
InChIKeyBHUPDTMKMABXTE-LCYFTJDESA-N
MW313.20 g/mol
LogP1.29
Rot. Bonds3

About 4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide

4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide (PubChem CID 146520719) has the molecular formula C11H17BrN6 and a molecular weight of 313.20 g/mol. Its IUPAC name is 4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide.

Molecular Properties

Compound Name4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide
PubChem CID146520719
Molecular FormulaC11H17BrN6
Molecular Weight313.20 g/mol
Exact Mass312.07
IUPAC Name4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide
SMILES[H]/N=C(\Br)c1c(N)ncnc1NC1CCCN(C)C1
InChIInChI=1S/C11H17BrN6/c1-18-4-2-3-7(5-18)17-11-8(9(12)13)10(14)15-6-16-11/h6-7,13H,2-5H2,1H3,(H3,14,15,16,17)/b13-9-
InChIKeyBHUPDTMKMABXTE-LCYFTJDESA-N
XLogP1.29
TPSA90.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-5-carboximidoyl]benzoic acid
CID 144819373
4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine
CID 145120459
tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]piperidine-1-carboxylate;ethane
CID 145011201
tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 126660696
1-[3-[[6-amino-5-(4-methoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-yn-1-one
CID 123234162
5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine
CID 66279959
4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]-N'-hydroxycyclohexane-1-carboximidamide
CID 143087704
3-[[6-amino-5-[4-(4-fluorophenoxy)benzenecarboximidoyl]pyrimidin-4-yl]amino]piperidine-1-carbaldehyde
CID 144747008
5-(4-cyclohepta-1,3,5-trien-1-yloxybenzenecarboximidoyl)-4-N-(1-phosphanylpiperidin-3-yl)pyrimidine-4,6-diamine
CID 130319137
tert-butyl (3R)-3-[[6-amino-5-(4-aminobenzenecarboximidoyl)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 88960620
4-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 167479973
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine
CID 143087711

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide?
The IUPAC name of 4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide (CID 146520719) is 4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide.
What is the SMILES notation for 4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide?
The canonical SMILES for 4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide is [H]/N=C(\Br)c1c(N)ncnc1NC1CCCN(C)C1.
What is the InChIKey of 4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide?
The InChIKey is BHUPDTMKMABXTE-LCYFTJDESA-N. The full InChI is InChI=1S/C11H17BrN6/c1-18-4-2-3-7(5-18)17-11-8(9(12)13)10(14)15-6-16-11/h6-7,13H,2-5H2,1H3,(H3,14,15,16,17)/b13-9-.
What are the key properties of 4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide?
4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide has a molecular weight of 313.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide is sourced from PubChem (CID 146520719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).