N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine

C14H17BrN4O — CID 43675593

IUPACN-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESBrc1ccc(CNC2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C14H17BrN4O/c15-13-3-2-12(20-13)10-18-11-4-8-19(9-5-11)14-16-6-1-7-17-14/h1-3,6-7,11,18H,4-5,8-10H2
InChIKeyQAHVPJAQKIYWNU-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.59
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine

N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 43675593) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID43675593
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESBrc1ccc(CNC2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C14H17BrN4O/c15-13-3-2-12(20-13)10-18-11-4-8-19(9-5-11)14-16-6-1-7-17-14/h1-3,6-7,11,18H,4-5,8-10H2
InChIKeyQAHVPJAQKIYWNU-UHFFFAOYSA-N
XLogP2.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43779441
N-(pyridin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675588
(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 93318901
N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 62084118
N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine
CID 131204068
N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 62761801
N-[(5-bromofuran-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 113268596
(3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 124813528
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 56795837
4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide
CID 72848257
(3S)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 95575885
N-[(1-methyltriazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 62757757

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine (CID 43675593) is N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine is Brc1ccc(CNC2CCN(c3ncccn3)CC2)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is QAHVPJAQKIYWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c15-13-3-2-12(20-13)10-18-11-4-8-19(9-5-11)14-16-6-1-7-17-14/h1-3,6-7,11,18H,4-5,8-10H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 337.22 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 43675593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).