5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

C11H17IN4 — CID 106642624

IUPAC5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCCNC1)c1ncncc1I
InChIInChI=1S/C11H17IN4/c1-16(7-9-3-2-4-13-5-9)11-10(12)6-14-8-15-11/h6,8-9,13H,2-5,7H2,1H3
InChIKeyXANQCHHGGDDQDK-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.52
Rot. Bonds3

About 5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 106642624) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
PubChem CID106642624
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCCNC1)c1ncncc1I
InChIInChI=1S/C11H17IN4/c1-16(7-9-3-2-4-13-5-9)11-10(12)6-14-8-15-11/h6,8-9,13H,2-5,7H2,1H3
InChIKeyXANQCHHGGDDQDK-UHFFFAOYSA-N
XLogP1.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.52
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

5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642815
3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 66320423
5-iodo-4-(piperidin-3-ylmethoxy)pyrimidine
CID 66321144
N,5-dimethyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 106642612
N-methyl-N-(piperidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642141
5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106642794
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71642119
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine
CID 112709657
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796664
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455
N,1-dimethyl-N-(piperidin-3-ylmethyl)imidazol-2-amine
CID 106642829
6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97164469

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (CID 106642624) is 5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is CN(CC1CCCNC1)c1ncncc1I.
What is the InChIKey of 5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is XANQCHHGGDDQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4/c1-16(7-9-3-2-4-13-5-9)11-10(12)6-14-8-15-11/h6,8-9,13H,2-5,7H2,1H3.
What are the key properties of 5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 332.19 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106642624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).