N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine

C16H19BrN4 — CID 66342377

IUPACN-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine
SMILESBrc1cncnc1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H19BrN4/c17-15-9-18-12-19-16(15)20-14-7-4-8-21(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,18,19,20)
InChIKeyFLSAHYHKFHKVKX-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.32
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine

N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine (PubChem CID 66342377) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine
PubChem CID66342377
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC NameN-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine
SMILESBrc1cncnc1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H19BrN4/c17-15-9-18-12-19-16(15)20-14-7-4-8-21(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,18,19,20)
InChIKeyFLSAHYHKFHKVKX-UHFFFAOYSA-N
XLogP3.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
CID 105369461
N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
CID 104777098
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
5-[(1-benzylpiperidin-3-yl)amino]-4-bromo-2-methylpyridazin-3-one
CID 133303350
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
CID 80522263
N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
CID 79042917
N-[(3R)-1-benzylpyrrolidin-3-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9109166
3-[6-[[(3R)-1-benzylpiperidin-3-yl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68962344
(E)-3-[6-[[(3R)-1-benzylpiperidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87637103
1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine
CID 63719013

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine (CID 66342377) is N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine is Brc1cncnc1NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine?
The InChIKey is FLSAHYHKFHKVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c17-15-9-18-12-19-16(15)20-14-7-4-8-21(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,18,19,20).
What are the key properties of N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine?
N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine has a molecular weight of 347.26 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine is sourced from PubChem (CID 66342377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).