N,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine

C19H31N7 — CID 46989602

IUPACN,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine
SMILESCCCc1cnc(C)nc1N1CCC(Cn2cc(CN(C)C)nn2)CC1
InChIInChI=1S/C19H31N7/c1-5-6-17-11-20-15(2)21-19(17)25-9-7-16(8-10-25)12-26-14-18(22-23-26)13-24(3)4/h11,14,16H,5-10,12-13H2,1-4H3
InChIKeyYCBBKEQJLDIHPS-UHFFFAOYSA-N
MW357.51 g/mol
LogP2.31
Rot. Bonds7

About N,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine

N,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine (PubChem CID 46989602) has the molecular formula C19H31N7 and a molecular weight of 357.51 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine
PubChem CID46989602
Molecular FormulaC19H31N7
Molecular Weight357.51 g/mol
Exact Mass357.26
IUPAC NameN,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine
SMILESCCCc1cnc(C)nc1N1CCC(Cn2cc(CN(C)C)nn2)CC1
InChIInChI=1S/C19H31N7/c1-5-6-17-11-20-15(2)21-19(17)25-9-7-16(8-10-25)12-26-14-18(22-23-26)13-24(3)4/h11,14,16H,5-10,12-13H2,1-4H3
InChIKeyYCBBKEQJLDIHPS-UHFFFAOYSA-N
XLogP2.31
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.51
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine (CID 46989602) is N,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine is CCCc1cnc(C)nc1N1CCC(Cn2cc(CN(C)C)nn2)CC1.
What is the InChIKey of N,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine?
The InChIKey is YCBBKEQJLDIHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7/c1-5-6-17-11-20-15(2)21-19(17)25-9-7-16(8-10-25)12-26-14-18(22-23-26)13-24(3)4/h11,14,16H,5-10,12-13H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine?
N,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine has a molecular weight of 357.51 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 46989602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).