2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one

C20H25N7O3 — CID 166101420

IUPAC2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESCn1cc(Cc2cccnc2OCCN2CCOCC2)c(-c2cc(=O)[nH]c(N)n2)n1
InChIInChI=1S/C20H25N7O3/c1-26-13-15(18(25-26)16-12-17(28)24-20(21)23-16)11-14-3-2-4-22-19(14)30-10-7-27-5-8-29-9-6-27/h2-4,12-13H,5-11H2,1H3,(H3,21,23,24,28)
InChIKeyINNNDCXFEYRXKQ-UHFFFAOYSA-N
MW411.47 g/mol
LogP0.45
Rot. Bonds7

About 2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one

2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one (PubChem CID 166101420) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one
PubChem CID166101420
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC Name2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESCn1cc(Cc2cccnc2OCCN2CCOCC2)c(-c2cc(=O)[nH]c(N)n2)n1
InChIInChI=1S/C20H25N7O3/c1-26-13-15(18(25-26)16-12-17(28)24-20(21)23-16)11-14-3-2-4-22-19(14)30-10-7-27-5-8-29-9-6-27/h2-4,12-13H,5-11H2,1H3,(H3,21,23,24,28)
InChIKeyINNNDCXFEYRXKQ-UHFFFAOYSA-N
XLogP0.45
TPSA124.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazole-3-carboxylate
CID 166101636
1-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]butane-1,3-dione
CID 175634401
4-chloro-6-[1-(difluoromethyl)-4-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine
CID 166101792
4-methyl-6-[1-methyl-4-[[2-(2-morpholin-4-ylethylsulfanyl)phenyl]methyl]pyrazol-3-yl]pyrimidin-2-amine
CID 166101525
3-(2-morpholin-4-ylethyl)pyridin-2-amine;hydrochloride
CID 162323238
4-[2-[2-[[3-ethyl-1-(trideuteriomethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine
CID 171763242
3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine
CID 61267879
methyl (2S)-4-[2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-(difluoromethyl)pyrazol-4-yl]methyl]phenoxy]ethyl]morpholine-2-carboxylate
CID 166101901
4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine
CID 169419591
1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine
CID 161408608
4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine
CID 3070778
methyl 2-[2-[[3-(2-amino-6-chloropyrimidin-4-yl)-1-methylpyrazol-4-yl]methyl]phenoxy]acetate
CID 166101667

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one (CID 166101420) is 2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one is Cn1cc(Cc2cccnc2OCCN2CCOCC2)c(-c2cc(=O)[nH]c(N)n2)n1.
What is the InChIKey of 2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one?
The InChIKey is INNNDCXFEYRXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-26-13-15(18(25-26)16-12-17(28)24-20(21)23-16)11-14-3-2-4-22-19(14)30-10-7-27-5-8-29-9-6-27/h2-4,12-13H,5-11H2,1H3,(H3,21,23,24,28).
What are the key properties of 2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one?
2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one has a molecular weight of 411.47 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-methyl-4-[[2-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]pyrazol-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 166101420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).