N-(1-iodopiperidin-4-yl)pyrimidin-2-amine

C9H13IN4 — CID 164956065

IUPACN-(1-iodopiperidin-4-yl)pyrimidin-2-amine
SMILESIN1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C9H13IN4/c10-14-6-2-8(3-7-14)13-9-11-4-1-5-12-9/h1,4-5,8H,2-3,6-7H2,(H,11,12,13)
InChIKeyBENDFNPBXZMQJE-UHFFFAOYSA-N
MW304.13 g/mol
LogP1.70
Rot. Bonds2

About N-(1-iodopiperidin-4-yl)pyrimidin-2-amine

N-(1-iodopiperidin-4-yl)pyrimidin-2-amine (PubChem CID 164956065) has the molecular formula C9H13IN4 and a molecular weight of 304.13 g/mol. Its IUPAC name is N-(1-iodopiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-iodopiperidin-4-yl)pyrimidin-2-amine
PubChem CID164956065
Molecular FormulaC9H13IN4
Molecular Weight304.13 g/mol
Exact Mass304.02
IUPAC NameN-(1-iodopiperidin-4-yl)pyrimidin-2-amine
SMILESIN1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C9H13IN4/c10-14-6-2-8(3-7-14)13-9-11-4-1-5-12-9/h1,4-5,8H,2-3,6-7H2,(H,11,12,13)
InChIKeyBENDFNPBXZMQJE-UHFFFAOYSA-N
XLogP1.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutylpyrimidin-2-amine
CID 45080152
N-(1-ethylpiperidin-4-yl)pyrimidin-2-amine
CID 60667166
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one
CID 176934296
N-[1-(2-fluorophenyl)piperidin-4-yl]pyrimidin-2-amine
CID 141014633
4-N-pyrimidin-2-ylcyclohexane-1,4-diamine;hydrochloride
CID 71643877
N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 75365664
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
4-N-tert-butyl-1-N-pyrimidin-2-ylcyclohexane-1,4-diamine
CID 155223125
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 126853561
N-(oxan-4-yl)pyrimidin-2-amine;propane
CID 144986361

Frequently Asked Questions

What is the IUPAC name of N-(1-iodopiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(1-iodopiperidin-4-yl)pyrimidin-2-amine (CID 164956065) is N-(1-iodopiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-iodopiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1-iodopiperidin-4-yl)pyrimidin-2-amine is IN1CCC(Nc2ncccn2)CC1.
What is the InChIKey of N-(1-iodopiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is BENDFNPBXZMQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4/c10-14-6-2-8(3-7-14)13-9-11-4-1-5-12-9/h1,4-5,8H,2-3,6-7H2,(H,11,12,13).
What are the key properties of N-(1-iodopiperidin-4-yl)pyrimidin-2-amine?
N-(1-iodopiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 304.13 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodopiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 164956065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).