5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride

C11H18ClIN4 — CID 71298772

IUPAC5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride
SMILESCN(C)c1ncc(I)c(C2CCCN2C)n1.Cl
InChIInChI=1S/C11H17IN4.ClH/c1-15(2)11-13-7-8(12)10(14-11)9-5-4-6-16(9)3;/h7,9H,4-6H2,1-3H3;1H
InChIKeySBMGPVQFKALQJB-UHFFFAOYSA-N
MW368.65 g/mol
LogP2.34
Rot. Bonds2

About 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride

5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride (PubChem CID 71298772) has the molecular formula C11H18ClIN4 and a molecular weight of 368.65 g/mol. Its IUPAC name is 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride
PubChem CID71298772
Molecular FormulaC11H18ClIN4
Molecular Weight368.65 g/mol
Exact Mass368.03
IUPAC Name5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride
SMILESCN(C)c1ncc(I)c(C2CCCN2C)n1.Cl
InChIInChI=1S/C11H17IN4.ClH/c1-15(2)11-13-7-8(12)10(14-11)9-5-4-6-16(9)3;/h7,9H,4-6H2,1-3H3;1H
InChIKeySBMGPVQFKALQJB-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Pyrrolidin-2-yl)pyrimidine
CID 13639423
5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine
CID 66509607
5-iodo-N,N-dimethyl-4-(1-methylpiperidin-2-yl)pyrimidin-2-amine
CID 66509608
5-iodo-4-(1-isopropylpyrrolidin-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 66509613
5-Iodo-4-(1-isopropylpiperidin-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 66509614
[5-Iodo-4-(1-methanesulfonyl-pyrrolidin-2-yl)-pyrimidin-2-yl]-dimethyl-amine
CID 66509628
5-Iodo-N,N-dimethyl-4-(1-(methylsulfonyl)piperidin-2-yl)pyrimidin-2-amine
CID 66509629
4-(Pyrrolidin-2-yl)pyrimidine dihydrochloride
CID 75485384
5-iodo-4-(1-isopropylpiperidin-2-yl)-N,N-dimethylpyrimidin-2-amine hydrochloride
CID 71298777
N-butyl-4-ethyl-5-fluoro-N-pentan-2-ylpyrimidin-2-amine
CID 71106703
N-butyl-4-ethyl-5-fluoro-N-nonan-5-ylpyrimidin-2-amine
CID 71106928
N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine
CID 71106938

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride?
The IUPAC name of 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride (CID 71298772) is 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride is CN(C)c1ncc(I)c(C2CCCN2C)n1.Cl.
What is the InChIKey of 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride?
The InChIKey is SBMGPVQFKALQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4.ClH/c1-15(2)11-13-7-8(12)10(14-11)9-5-4-6-16(9)3;/h7,9H,4-6H2,1-3H3;1H.
What are the key properties of 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride?
5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride has a molecular weight of 368.65 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,N-dimethyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 71298772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).