N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine

C11H18N4 — CID 123144666

IUPACN,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
SMILESCc1ccnc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C11H18N4/c1-9-4-6-12-11(13-9)15-7-5-10(8-15)14(2)3/h4,6,10H,5,7-8H2,1-3H3
InChIKeyAKNYQWUHCYKQND-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.93
Rot. Bonds2

About N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine

N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine (PubChem CID 123144666) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
PubChem CID123144666
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
SMILESCc1ccnc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C11H18N4/c1-9-4-6-12-11(13-9)15-7-5-10(8-15)14(2)3/h4,6,10H,5,7-8H2,1-3H3
InChIKeyAKNYQWUHCYKQND-UHFFFAOYSA-N
XLogP0.93
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine (CID 123144666) is N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine is Cc1ccnc(N2CCC(N(C)C)C2)n1.
What is the InChIKey of N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine?
The InChIKey is AKNYQWUHCYKQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9-4-6-12-11(13-9)15-7-5-10(8-15)14(2)3/h4,6,10H,5,7-8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine?
N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 123144666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).