N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine

C14H23IN4 — CID 66298577

IUPACN-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(N2CCCCC2)nc(C(C)C)c1I
InChIInChI=1S/C14H23IN4/c1-4-16-13-11(15)12(10(2)3)17-14(18-13)19-8-6-5-7-9-19/h10H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyOSIQJJSQUOBXLN-UHFFFAOYSA-N
MW374.27 g/mol
LogP3.63
Rot. Bonds4

About N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine

N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66298577) has the molecular formula C14H23IN4 and a molecular weight of 374.27 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine
PubChem CID66298577
Molecular FormulaC14H23IN4
Molecular Weight374.27 g/mol
Exact Mass374.10
IUPAC NameN-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(N2CCCCC2)nc(C(C)C)c1I
InChIInChI=1S/C14H23IN4/c1-4-16-13-11(15)12(10(2)3)17-14(18-13)19-8-6-5-7-9-19/h10H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyOSIQJJSQUOBXLN-UHFFFAOYSA-N
XLogP3.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.63
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

N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
CID 66307589
6-cyclopropyl-N-ethyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66301967
2-(azepan-1-yl)-5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298547
2-cycloheptyl-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301128
N-ethyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191304
N-ethyl-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351687
6-tert-butyl-5-iodo-2-piperidin-1-yl-N-propylpyrimidin-4-amine
CID 66299616
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79961334
2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 107925723
2-(azepan-1-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299085
2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79089362
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine (CID 66298577) is N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(N2CCCCC2)nc(C(C)C)c1I.
What is the InChIKey of N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is OSIQJJSQUOBXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN4/c1-4-16-13-11(15)12(10(2)3)17-14(18-13)19-8-6-5-7-9-19/h10H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine?
N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 374.27 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66298577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).