N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine

C20H24F3N7O — CID 175657206

IUPACN-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine
SMILESCc1cccc(CN(C)Cc2nc(N3CCOCC3)c3ncn(CC(F)(F)F)c3n2)n1
InChIInChI=1S/C20H24F3N7O/c1-14-4-3-5-15(25-14)10-28(2)11-16-26-18(29-6-8-31-9-7-29)17-19(27-16)30(13-24-17)12-20(21,22)23/h3-5,13H,6-12H2,1-2H3
InChIKeyYVLXIRNDGOXSEJ-UHFFFAOYSA-N
MW435.45 g/mol
LogP2.56
Rot. Bonds6

About N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine

N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine (PubChem CID 175657206) has the molecular formula C20H24F3N7O and a molecular weight of 435.45 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine
PubChem CID175657206
Molecular FormulaC20H24F3N7O
Molecular Weight435.45 g/mol
Exact Mass435.20
IUPAC NameN-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine
SMILESCc1cccc(CN(C)Cc2nc(N3CCOCC3)c3ncn(CC(F)(F)F)c3n2)n1
InChIInChI=1S/C20H24F3N7O/c1-14-4-3-5-15(25-14)10-28(2)11-16-26-18(29-6-8-31-9-7-29)17-19(27-16)30(13-24-17)12-20(21,22)23/h3-5,13H,6-12H2,1-2H3
InChIKeyYVLXIRNDGOXSEJ-UHFFFAOYSA-N
XLogP2.56
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-1-(2-methylpyrazol-3-yl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine
CID 175661358
4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine
CID 175656376
N-methyl-N-[(9-methyl-6-morpholin-4-ylpurin-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 175657471
4-[2-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine
CID 175656651
4-[2-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine
CID 175654906
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
4-[2-[1-(pyrimidin-5-ylmethyl)piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine
CID 175654865
9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine
CID 166396031
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine
CID 15366661
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
N-methyl-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172903124

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine (CID 175657206) is N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine is Cc1cccc(CN(C)Cc2nc(N3CCOCC3)c3ncn(CC(F)(F)F)c3n2)n1.
What is the InChIKey of N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine?
The InChIKey is YVLXIRNDGOXSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7O/c1-14-4-3-5-15(25-14)10-28(2)11-16-26-18(29-6-8-31-9-7-29)17-19(27-16)30(13-24-17)12-20(21,22)23/h3-5,13H,6-12H2,1-2H3.
What are the key properties of N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine?
N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine has a molecular weight of 435.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine is sourced from PubChem (CID 175657206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).