N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine

C14H22IN3 — CID 66305718

IUPACN-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CCC(CC)C2)nc(C)c1I
InChIInChI=1S/C14H22IN3/c1-4-10-6-7-11(8-10)13-17-9(3)12(15)14(18-13)16-5-2/h10-11H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyOAELSKAPPNVZHW-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.12
Rot. Bonds4

About N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine

N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine (PubChem CID 66305718) has the molecular formula C14H22IN3 and a molecular weight of 359.26 g/mol. Its IUPAC name is N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine
PubChem CID66305718
Molecular FormulaC14H22IN3
Molecular Weight359.26 g/mol
Exact Mass359.09
IUPAC NameN-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CCC(CC)C2)nc(C)c1I
InChIInChI=1S/C14H22IN3/c1-4-10-6-7-11(8-10)13-17-9(3)12(15)14(18-13)16-5-2/h10-11H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyOAELSKAPPNVZHW-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.12
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

6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine
CID 66300395
N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66305719
N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65404241
2-(3-ethylcyclopentyl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 65406195
2-(3-ethylcyclohexyl)-N,5,6-trimethylpyrimidin-4-amine
CID 65413620
N,5-diethyl-6-methyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65402188
N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine
CID 65405998
5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66307681
4-N-ethyl-5-iodo-2-N,2-N,6-trimethylpyrimidine-2,4-diamine
CID 66305717
2-(3-ethylcyclopentyl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 65405403
N-ethyl-2-(4-ethylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472404
ethyl 4-amino-2-(3-ethylcyclopentyl)-6-methylpyrimidine-5-carboxylate
CID 116647833

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine (CID 66305718) is N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine is CCNc1nc(C2CCC(CC)C2)nc(C)c1I.
What is the InChIKey of N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine?
The InChIKey is OAELSKAPPNVZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN3/c1-4-10-6-7-11(8-10)13-17-9(3)12(15)14(18-13)16-5-2/h10-11H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine?
N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine has a molecular weight of 359.26 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethylcyclopentyl)-5-iodo-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66305718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).