N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine

C15H14BrN5O — CID 146212943

IUPACN-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine
SMILESCOc1ncc2nc(C)nc(NCc3cccc(Br)c3)c2n1
InChIInChI=1S/C15H14BrN5O/c1-9-19-12-8-18-15(22-2)21-13(12)14(20-9)17-7-10-4-3-5-11(16)6-10/h3-6,8H,7H2,1-2H3,(H,17,19,20)
InChIKeyAOSUHUKVJPUMHB-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.11
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine

N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 146212943) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine
PubChem CID146212943
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC NameN-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine
SMILESCOc1ncc2nc(C)nc(NCc3cccc(Br)c3)c2n1
InChIInChI=1S/C15H14BrN5O/c1-9-19-12-8-18-15(22-2)21-13(12)14(20-9)17-7-10-4-3-5-11(16)6-10/h3-6,8H,7H2,1-2H3,(H,17,19,20)
InChIKeyAOSUHUKVJPUMHB-UHFFFAOYSA-N
XLogP3.11
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-bromophenyl)methyl]-6-[2-(dimethylamino)ethoxy]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146212990
4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine
CID 158200511
6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane
CID 142432906
3-[4-[(3-bromophenyl)methylamino]-6-methoxy-2-methylquinazolin-7-yl]oxy-N-methoxy-N-methylpropanamide
CID 171600533
5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
CID 79718282
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80758182
CID 153353385
CID 153353385
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434
N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 79632289
N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327634
N-[(3-bromophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230231
N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine
CID 63541171

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine (CID 146212943) is N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine is COc1ncc2nc(C)nc(NCc3cccc(Br)c3)c2n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine?
The InChIKey is AOSUHUKVJPUMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O/c1-9-19-12-8-18-15(22-2)21-13(12)14(20-9)17-7-10-4-3-5-11(16)6-10/h3-6,8H,7H2,1-2H3,(H,17,19,20).
What are the key properties of N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine?
N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 360.22 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-6-methoxy-2-methylpyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146212943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).