N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine

C14H21N7 — CID 45229674

IUPACN,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCc1cnc(N2CCC(N(C)C)C2)nc1-c1ncnn1C
InChIInChI=1S/C14H21N7/c1-10-7-15-14(21-6-5-11(8-21)19(2)3)18-12(10)13-16-9-17-20(13)4/h7,9,11H,5-6,8H2,1-4H3
InChIKeyJGMYUXBLOAXJID-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.72
Rot. Bonds3

About N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine

N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine (PubChem CID 45229674) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine
PubChem CID45229674
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine
SMILESCc1cnc(N2CCC(N(C)C)C2)nc1-c1ncnn1C
InChIInChI=1S/C14H21N7/c1-10-7-15-14(21-6-5-11(8-21)19(2)3)18-12(10)13-16-9-17-20(13)4/h7,9,11H,5-6,8H2,1-4H3
InChIKeyJGMYUXBLOAXJID-UHFFFAOYSA-N
XLogP0.72
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine
CID 30936887
N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
CID 123144666
N,N-dimethyl-1-[4-methyl-5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185385
N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185384
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
CID 83184413
N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
CID 83179302
1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine
CID 104843511
1-[5-fluoro-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]-4-methylpiperidine-4-carbonyl chloride
CID 170782988
1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 56872555
1-[4-(1,4-dimethylpyrazol-5-yl)-5-methylpyrimidin-2-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 171748774
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 107083279
6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80630963

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine (CID 45229674) is N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine is Cc1cnc(N2CCC(N(C)C)C2)nc1-c1ncnn1C.
What is the InChIKey of N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine?
The InChIKey is JGMYUXBLOAXJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-10-7-15-14(21-6-5-11(8-21)19(2)3)18-12(10)13-16-9-17-20(13)4/h7,9,11H,5-6,8H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine?
N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine has a molecular weight of 287.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-methyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 45229674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).