5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine

C13H21IN4 — CID 66340980

IUPAC5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine
SMILESCC1CCCCN1CCCNc1ncncc1I
InChIInChI=1S/C13H21IN4/c1-11-5-2-3-7-18(11)8-4-6-16-13-12(14)9-15-10-17-13/h9-11H,2-8H2,1H3,(H,15,16,17)
InChIKeyAVPULDTWILQEIS-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.76
Rot. Bonds5

About 5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine

5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine (PubChem CID 66340980) has the molecular formula C13H21IN4 and a molecular weight of 360.24 g/mol. Its IUPAC name is 5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine
PubChem CID66340980
Molecular FormulaC13H21IN4
Molecular Weight360.24 g/mol
Exact Mass360.08
IUPAC Name5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine
SMILESCC1CCCCN1CCCNc1ncncc1I
InChIInChI=1S/C13H21IN4/c1-11-5-2-3-7-18(11)8-4-6-16-13-12(14)9-15-10-17-13/h9-11H,2-8H2,1H3,(H,15,16,17)
InChIKeyAVPULDTWILQEIS-UHFFFAOYSA-N
XLogP2.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66340148
1-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 26017163
3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 112675563
5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 79718768
3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924743
N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 65271137
4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407759
3-N-methyl-5-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3,5-diamine
CID 104532661
3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62759298
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 106549461
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
CID 3068040

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine (CID 66340980) is 5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine is CC1CCCCN1CCCNc1ncncc1I.
What is the InChIKey of 5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine?
The InChIKey is AVPULDTWILQEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN4/c1-11-5-2-3-7-18(11)8-4-6-16-13-12(14)9-15-10-17-13/h9-11H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine?
5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine has a molecular weight of 360.24 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 66340980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).