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

C14H17IN4O — CID 43779441

IUPACN-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESIc1ccc(CNC2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C14H17IN4O/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
InChIKeyCKWMYNTVRFHBGC-UHFFFAOYSA-N
MW384.22 g/mol
LogP2.43
Rot. Bonds4

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

N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 43779441) has the molecular formula C14H17IN4O and a molecular weight of 384.22 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID43779441
Molecular FormulaC14H17IN4O
Molecular Weight384.22 g/mol
Exact Mass384.04
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESIc1ccc(CNC2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C14H17IN4O/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
InChIKeyCKWMYNTVRFHBGC-UHFFFAOYSA-N
XLogP2.43
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675593
N-(pyridin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675588
4-N-[(5-iodofuran-2-yl)methyl]cyclohexane-1,4-diamine
CID 62318504
(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 93318901
N-[(5-iodofuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43791483
1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine
CID 43784616
N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 62761801
(3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 124813528
1-[4-[(5-iodofuran-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 43791424
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

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine (CID 43779441) is N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine is Ic1ccc(CNC2CCN(c3ncccn3)CC2)o1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is CKWMYNTVRFHBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN4O/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-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 384.22 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 43779441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).