2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide

C18H18BrN5O3 — CID 11201291

IUPAC2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCOCc1cccc(CNC(=O)c2nc(N)nc(-c3ccc(C)o3)c2Br)n1
InChIInChI=1S/C18H18BrN5O3/c1-10-6-7-13(27-10)15-14(19)16(24-18(20)23-15)17(25)21-8-11-4-3-5-12(22-11)9-26-2/h3-7H,8-9H2,1-2H3,(H,21,25)(H2,20,23,24)
InChIKeyUTZKMAZKNGWINR-UHFFFAOYSA-N
MW432.28 g/mol
LogP2.86
Rot. Bonds6

About 2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide

2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (PubChem CID 11201291) has the molecular formula C18H18BrN5O3 and a molecular weight of 432.28 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
PubChem CID11201291
Molecular FormulaC18H18BrN5O3
Molecular Weight432.28 g/mol
Exact Mass431.06
IUPAC Name2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
SMILESCOCc1cccc(CNC(=O)c2nc(N)nc(-c3ccc(C)o3)c2Br)n1
InChIInChI=1S/C18H18BrN5O3/c1-10-6-7-13(27-10)15-14(19)16(24-18(20)23-15)17(25)21-8-11-4-3-5-12(22-11)9-26-2/h3-7H,8-9H2,1-2H3,(H,21,25)(H2,20,23,24)
InChIKeyUTZKMAZKNGWINR-UHFFFAOYSA-N
XLogP2.86
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
CID 59022902
4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide
CID 44520939
4-N-[[6-(chloromethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-2,4,5-triamine
CID 146475044
2-amino-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 59022913
2-amino-N-[[6-[(4-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444944
2-amino-N-[[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444984
6-(5-methylfuran-2-yl)-5-nitro-4-N-[[6-[[(3R)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]pyrimidine-2,4-diamine
CID 155290637
2-amino-N-[(4,6-dimethyl-2-pyridinyl)methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide
CID 44520978
2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853869
2-amino-N-[[6-(cyclopentyloxymethyl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444911
2-amino-6-(5-methylfuran-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4-carboxamide
CID 59022880
[6-(methoxymethyl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]hydrazine
CID 62321053

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide (CID 11201291) is 2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is COCc1cccc(CNC(=O)c2nc(N)nc(-c3ccc(C)o3)c2Br)n1.
What is the InChIKey of 2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
The InChIKey is UTZKMAZKNGWINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5O3/c1-10-6-7-13(27-10)15-14(19)16(24-18(20)23-15)17(25)21-8-11-4-3-5-12(22-11)9-26-2/h3-7H,8-9H2,1-2H3,(H,21,25)(H2,20,23,24).
What are the key properties of 2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide?
2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide has a molecular weight of 432.28 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-6-(5-methylfuran-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 11201291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).