2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C14H17BrN4O — CID 115145217

IUPAC2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(CN(C)c2nc(Br)nc3c2CNCC3)o1
InChIInChI=1S/C14H17BrN4O/c1-9-3-4-10(20-9)8-19(2)13-11-7-16-6-5-12(11)17-14(15)18-13/h3-4,16H,5-8H2,1-2H3
InChIKeyCHMGHIGHVQDUOK-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.42
Rot. Bonds3

About 2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 115145217) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID115145217
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(CN(C)c2nc(Br)nc3c2CNCC3)o1
InChIInChI=1S/C14H17BrN4O/c1-9-3-4-10(20-9)8-19(2)13-11-7-16-6-5-12(11)17-14(15)18-13/h3-4,16H,5-8H2,1-2H3
InChIKeyCHMGHIGHVQDUOK-UHFFFAOYSA-N
XLogP2.42
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145261
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703012
5-bromo-2-N-ethyl-4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4-diamine
CID 80781899
N,2-dimethyl-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145265
6-chloro-N,4,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridazin-3-amine
CID 63271589
4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145043
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 46995689
2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80782080
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485
6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 42396417
2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine
CID 80776365

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 115145217) is 2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(CN(C)c2nc(Br)nc3c2CNCC3)o1.
What is the InChIKey of 2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is CHMGHIGHVQDUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-9-3-4-10(20-9)8-19(2)13-11-7-16-6-5-12(11)17-14(15)18-13/h3-4,16H,5-8H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 337.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115145217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).