5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine

C11H16IN3 — CID 107414024

IUPAC5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCC1CCC(CNc2ncncc2I)C1
InChIInChI=1S/C11H16IN3/c1-8-2-3-9(4-8)5-14-11-10(12)6-13-7-15-11/h6-9H,2-5H2,1H3,(H,13,14,15)
InChIKeyGIWMFJQXUAEYCP-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.93
Rot. Bonds3

About 5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine

5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine (PubChem CID 107414024) has the molecular formula C11H16IN3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
PubChem CID107414024
Molecular FormulaC11H16IN3
Molecular Weight317.17 g/mol
Exact Mass317.04
IUPAC Name5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCC1CCC(CNc2ncncc2I)C1
InChIInChI=1S/C11H16IN3/c1-8-2-3-9(4-8)5-14-11-10(12)6-13-7-15-11/h6-9H,2-5H2,1H3,(H,13,14,15)
InChIKeyGIWMFJQXUAEYCP-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.93
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

N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine
CID 65418018
5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 65417799
N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66339901
N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 107413822
3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413889
N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine
CID 66318483
N-[(3-methylcyclopentyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107414057
N-butyl-5-iodopyrimidin-4-amine
CID 65418648
5-iodo-N-(2-methylthiolan-3-yl)pyrimidin-4-amine
CID 130655835
[1-[(5-iodopyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 66341480
4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110333
3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 107413310

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine (CID 107414024) is 5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine is CC1CCC(CNc2ncncc2I)C1.
What is the InChIKey of 5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
The InChIKey is GIWMFJQXUAEYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3/c1-8-2-3-9(4-8)5-14-11-10(12)6-13-7-15-11/h6-9H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine has a molecular weight of 317.17 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 107414024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).