N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine

C18H19BrN6 — CID 5328369

IUPACN-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCN1CCN(c2cc3c(Nc4cccc(Br)c4)ncnc3cn2)CC1
InChIInChI=1S/C18H19BrN6/c1-24-5-7-25(8-6-24)17-10-15-16(11-20-17)21-12-22-18(15)23-14-4-2-3-13(19)9-14/h2-4,9-12H,5-8H2,1H3,(H,21,22,23)
InChIKeyFTYUEIQBPIWEPZ-UHFFFAOYSA-N
MW399.30 g/mol
LogP3.28
Rot. Bonds3

About N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine

N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 5328369) has the molecular formula C18H19BrN6 and a molecular weight of 399.30 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID5328369
Molecular FormulaC18H19BrN6
Molecular Weight399.30 g/mol
Exact Mass398.09
IUPAC NameN-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine
SMILESCN1CCN(c2cc3c(Nc4cccc(Br)c4)ncnc3cn2)CC1
InChIInChI=1S/C18H19BrN6/c1-24-5-7-25(8-6-24)17-10-15-16(11-20-17)21-12-22-18(15)23-14-4-2-3-13(19)9-14/h2-4,9-12H,5-8H2,1H3,(H,21,22,23)
InChIKeyFTYUEIQBPIWEPZ-UHFFFAOYSA-N
XLogP3.28
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine (CID 5328369) is N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine is CN1CCN(c2cc3c(Nc4cccc(Br)c4)ncnc3cn2)CC1.
What is the InChIKey of N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is FTYUEIQBPIWEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN6/c1-24-5-7-25(8-6-24)17-10-15-16(11-20-17)21-12-22-18(15)23-14-4-2-3-13(19)9-14/h2-4,9-12H,5-8H2,1H3,(H,21,22,23).
What are the key properties of N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine?
N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 399.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 5328369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).