2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane

C19H30N6O3S — CID 142518032

IUPAC2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane
SMILESC1COC1.COc1cc(-c2nc(N)cc(N3CCOCC3C)n2)cc(N)n1.CS
InChIInChI=1S/C15H20N6O2.C3H6O.CH4S/c1-9-8-23-4-3-21(9)13-7-12(17)19-15(20-13)10-5-11(16)18-14(6-10)22-2;1-2-4-3-1;1-2/h5-7,9H,3-4,8H2,1-2H3,(H2,16,18)(H2,17,19,20);1-3H2;2H,1H3
InChIKeyWQAZXTSUYIMMIR-UHFFFAOYSA-N
MW422.56 g/mol
LogP1.89
Rot. Bonds3

About 2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane

2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane (PubChem CID 142518032) has the molecular formula C19H30N6O3S and a molecular weight of 422.56 g/mol. Its IUPAC name is 2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane.

Molecular Properties

Compound Name2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane
PubChem CID142518032
Molecular FormulaC19H30N6O3S
Molecular Weight422.56 g/mol
Exact Mass422.21
IUPAC Name2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane
SMILESC1COC1.COc1cc(-c2nc(N)cc(N3CCOCC3C)n2)cc(N)n1.CS
InChIInChI=1S/C15H20N6O2.C3H6O.CH4S/c1-9-8-23-4-3-21(9)13-7-12(17)19-15(20-13)10-5-11(16)18-14(6-10)22-2;1-2-4-3-1;1-2/h5-7,9H,3-4,8H2,1-2H3,(H2,16,18)(H2,17,19,20);1-3H2;2H,1H3
InChIKeyWQAZXTSUYIMMIR-UHFFFAOYSA-N
XLogP1.89
TPSA121.64 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane with MolForge

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Related Compounds

ethane;6-methoxy-4-[4-(3-methylmorpholin-4-yl)-6-(1-methylsulfanylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine
CID 142533118
2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80966887
6-chloro-4-[4-(1-cyclopropylethylideneamino)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
CID 137422704
6-chloro-4-[4-(1,1-dioxothiolan-2-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]pyridin-2-amine
CID 137498437
ethane;methanethiol;6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine
CID 142518116
6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)pyrimidin-4-amine
CID 137417744
6-cyclopropyl-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
CID 137417699
6-chloro-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridin-2-amine
CID 137417788
2-(benzimidazol-1-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane
CID 142518114
6-amino-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[[methyl-(oxetan-3-yl)-oxo-λ6-sulfanylidene]amino]pyrimidin-2-yl]pyridine-2-carbaldehyde
CID 137422297
2-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methylsulfanylmethane
CID 142518005
6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine;methylsulfanylmethane
CID 142518022

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane?
The IUPAC name of 2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane (CID 142518032) is 2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane.
What is the SMILES notation for 2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane?
The canonical SMILES for 2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane is C1COC1.COc1cc(-c2nc(N)cc(N3CCOCC3C)n2)cc(N)n1.CS.
What is the InChIKey of 2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane?
The InChIKey is WQAZXTSUYIMMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2.C3H6O.CH4S/c1-9-8-23-4-3-21(9)13-7-12(17)19-15(20-13)10-5-11(16)18-14(6-10)22-2;1-2-4-3-1;1-2/h5-7,9H,3-4,8H2,1-2H3,(H2,16,18)(H2,17,19,20);1-3H2;2H,1H3.
What are the key properties of 2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane?
2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane has a molecular weight of 422.56 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane is sourced from PubChem (CID 142518032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).