6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one

C20H24BrN5O — CID 159668012

IUPAC6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one
SMILESNCC1CCN(c2nc(Nc3ccc4c(c3)CCC(=O)C4)ncc2Br)CC1
InChIInChI=1S/C20H24BrN5O/c21-18-12-23-20(25-19(18)26-7-5-13(11-22)6-8-26)24-16-3-1-15-10-17(27)4-2-14(15)9-16/h1,3,9,12-13H,2,4-8,10-11,22H2,(H,23,24,25)
InChIKeyMTQVJYVZGSZABL-UHFFFAOYSA-N
MW430.35 g/mol
LogP3.22
Rot. Bonds4

About 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one

6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 159668012) has the molecular formula C20H24BrN5O and a molecular weight of 430.35 g/mol. Its IUPAC name is 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one
PubChem CID159668012
Molecular FormulaC20H24BrN5O
Molecular Weight430.35 g/mol
Exact Mass429.12
IUPAC Name6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one
SMILESNCC1CCN(c2nc(Nc3ccc4c(c3)CCC(=O)C4)ncc2Br)CC1
InChIInChI=1S/C20H24BrN5O/c21-18-12-23-20(25-19(18)26-7-5-13(11-22)6-8-26)24-16-3-1-15-10-17(27)4-2-14(15)9-16/h1,3,9,12-13H,2,4-8,10-11,22H2,(H,23,24,25)
InChIKeyMTQVJYVZGSZABL-UHFFFAOYSA-N
XLogP3.22
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one with MolForge

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Related Compounds

6-amino-3,4-dihydro-1H-naphthalen-2-one;[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol;2,4-dichloro-5-fluoropyrimidine;6-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one;piperidin-4-ylmethanol
CID 159285437
[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80896698
4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58751569
4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 153028738
9-chloro-5,11-dimethyl-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 162026501
[4-[5-bromo-2-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone
CID 59353531
[5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine
CID 80917706
4-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine
CID 71242124
5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine
CID 80837449
[1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol
CID 80756578
7-[[4-[4-(aminomethyl)piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]-4-methyl-1H-quinolin-2-one
CID 67129984
[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917725

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one (CID 159668012) is 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one is NCC1CCN(c2nc(Nc3ccc4c(c3)CCC(=O)C4)ncc2Br)CC1.
What is the InChIKey of 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is MTQVJYVZGSZABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O/c21-18-12-23-20(25-19(18)26-7-5-13(11-22)6-8-26)24-16-3-1-15-10-17(27)4-2-14(15)9-16/h1,3,9,12-13H,2,4-8,10-11,22H2,(H,23,24,25).
What are the key properties of 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one?
6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 430.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-bromopyrimidin-2-yl]amino]-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 159668012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).