5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine

C10H15IN4 — CID 114695529

IUPAC5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine
SMILESCC1NCCCC1Nc1ncc(I)cn1
InChIInChI=1S/C10H15IN4/c1-7-9(3-2-4-12-7)15-10-13-5-8(11)6-14-10/h5-7,9,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyQDQXNLRAILWKLV-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.63
Rot. Bonds2

About 5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine

5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine (PubChem CID 114695529) has the molecular formula C10H15IN4 and a molecular weight of 318.16 g/mol. Its IUPAC name is 5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine
PubChem CID114695529
Molecular FormulaC10H15IN4
Molecular Weight318.16 g/mol
Exact Mass318.03
IUPAC Name5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine
SMILESCC1NCCCC1Nc1ncc(I)cn1
InChIInChI=1S/C10H15IN4/c1-7-9(3-2-4-12-7)15-10-13-5-8(11)6-14-10/h5-7,9,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyQDQXNLRAILWKLV-UHFFFAOYSA-N
XLogP1.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-(2-propan-2-ylcyclohexyl)pyrimidin-2-amine
CID 116648454
2-methyl-N-(3-methyltriazol-4-yl)piperidin-3-amine
CID 130486758
5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106618723
3-bromo-N-(2-methylpiperidin-3-yl)pyridin-4-amine
CID 114695454
2-N-(2-methylcyclopentyl)pyrimidine-2,5-diamine
CID 63278142
N-(2-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
CID 114695446
N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine
CID 116648422
N-(2-methylpiperidin-3-yl)thieno[3,2-c]pyridin-4-amine
CID 114695478
N-(2-methylpiperidin-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114695362
5-methyl-N-(2-methylcyclohexyl)pyrimidin-2-amine
CID 63208068
6-methoxy-5-methyl-N-(2-methylpiperidin-3-yl)pyrimidin-4-amine
CID 114695492
3,6-dichloro-N-(2-methylpiperidin-3-yl)pyridazin-4-amine
CID 114695592

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine (CID 114695529) is 5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine is CC1NCCCC1Nc1ncc(I)cn1.
What is the InChIKey of 5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine?
The InChIKey is QDQXNLRAILWKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4/c1-7-9(3-2-4-12-7)15-10-13-5-8(11)6-14-10/h5-7,9,12H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine?
5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine has a molecular weight of 318.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(2-methylpiperidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 114695529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).