N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine

C15H24IN3 — CID 66303935

IUPACN-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCC(C(C)C)CC2)ncc1I
InChIInChI=1S/C15H24IN3/c1-4-17-15-13(16)9-18-14(19-15)12-7-5-11(6-8-12)10(2)3/h9-12H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyPEPUTEWCFBOFIN-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.44
Rot. Bonds4

About N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine

N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine (PubChem CID 66303935) has the molecular formula C15H24IN3 and a molecular weight of 373.28 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
PubChem CID66303935
Molecular FormulaC15H24IN3
Molecular Weight373.28 g/mol
Exact Mass373.10
IUPAC NameN-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCC(C(C)C)CC2)ncc1I
InChIInChI=1S/C15H24IN3/c1-4-17-15-13(16)9-18-14(19-15)12-7-5-11(6-8-12)10(2)3/h9-12H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyPEPUTEWCFBOFIN-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine
CID 66303133
2-(4-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302905
2-(4-cyclopropylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 79980765
2-cyclooctyl-5-iodo-N-methylpyrimidin-4-amine
CID 80611090
5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66301879
2-(cyclopentylsulfanylmethyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66304146
N-ethyl-5-iodo-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 66302915
2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302086
2-(2,2-dimethylpropyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303735
2-cycloheptyl-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301128
6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66301966
4-chloro-2-cyclopropyl-5-iodopyrimidine
CID 66292052

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine (CID 66303935) is N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine is CCNc1nc(C2CCC(C(C)C)CC2)ncc1I.
What is the InChIKey of N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine?
The InChIKey is PEPUTEWCFBOFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3/c1-4-17-15-13(16)9-18-14(19-15)12-7-5-11(6-8-12)10(2)3/h9-12H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine?
N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine has a molecular weight of 373.28 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 66303935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).