6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine

C12H17IN4 — CID 66301951

IUPAC6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine
SMILESNc1nc(N2CCCCC2)nc(C2CC2)c1I
InChIInChI=1S/C12H17IN4/c13-9-10(8-4-5-8)15-12(16-11(9)14)17-6-2-1-3-7-17/h8H,1-7H2,(H2,14,15,16)
InChIKeyVBRIEXKQNHSPOH-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.53
Rot. Bonds2

About 6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine

6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 66301951) has the molecular formula C12H17IN4 and a molecular weight of 344.20 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID66301951
Molecular FormulaC12H17IN4
Molecular Weight344.20 g/mol
Exact Mass344.05
IUPAC Name6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine
SMILESNc1nc(N2CCCCC2)nc(C2CC2)c1I
InChIInChI=1S/C12H17IN4/c13-9-10(8-4-5-8)15-12(16-11(9)14)17-6-2-1-3-7-17/h8H,1-7H2,(H2,14,15,16)
InChIKeyVBRIEXKQNHSPOH-UHFFFAOYSA-N
XLogP2.53
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66301967
6-tert-butyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66307032
5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66302732
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
2-(azepan-1-yl)-5-iodopyrimidin-4-amine
CID 66303712
4-cyclopentyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 55251303
6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66302561
6-cyclopropyl-N-ethyl-5-iodo-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66302169
4,5-diamino-2-piperidin-1-yl-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
CID 57452372
6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine
CID 116777204
6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine
CID 79617345
(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 63918102

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine (CID 66301951) is 6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine is Nc1nc(N2CCCCC2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is VBRIEXKQNHSPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN4/c13-9-10(8-4-5-8)15-12(16-11(9)14)17-6-2-1-3-7-17/h8H,1-7H2,(H2,14,15,16).
What are the key properties of 6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine?
6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 344.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 66301951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).