N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine

C17H23N5 — CID 50972618

IUPACN,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCC2)nc(N(C)Cc2cccnc2)c1C
InChIInChI=1S/C17H23N5/c1-13-14(2)19-17(22-9-4-5-10-22)20-16(13)21(3)12-15-7-6-8-18-11-15/h6-8,11H,4-5,9-10,12H2,1-3H3
InChIKeyIPROYYSIVFIFBW-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.73
Rot. Bonds4

About N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine

N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 50972618) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID50972618
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCC2)nc(N(C)Cc2cccnc2)c1C
InChIInChI=1S/C17H23N5/c1-13-14(2)19-17(22-9-4-5-10-22)20-16(13)21(3)12-15-7-6-8-18-11-15/h6-8,11H,4-5,9-10,12H2,1-3H3
InChIKeyIPROYYSIVFIFBW-UHFFFAOYSA-N
XLogP2.73
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,5,6-trimethyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 134710183
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80970738
2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
CID 104737099
5,6-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine;formic acid
CID 154914374
N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869660
5-iodo-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 154785251
N-methyl-4-(pyridin-3-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 104737277
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389
N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909437
4-N-ethyl-2-N,4-N-dimethyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 50959733
5-(aminomethyl)-N,4-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 83186045

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 50972618) is N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine is Cc1nc(N2CCCC2)nc(N(C)Cc2cccnc2)c1C.
What is the InChIKey of N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is IPROYYSIVFIFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-13-14(2)19-17(22-9-4-5-10-22)20-16(13)21(3)12-15-7-6-8-18-11-15/h6-8,11H,4-5,9-10,12H2,1-3H3.
What are the key properties of N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 50972618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).