ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine

C16H25N5O2 — CID 145370745

IUPACethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCC.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1C
InChIInChI=1S/C14H19N5O2.C2H6/c1-7(2)11-9(5-8(3)13(18-11)20-4)21-10-6-17-14(16)19-12(10)15;1-2/h5-7H,1-4H3,(H4,15,16,17,19);1-2H3
InChIKeyZSGJFWRUBUXGJC-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.29
Rot. Bonds4

About ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine

ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 145370745) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Nameethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
PubChem CID145370745
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Nameethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
SMILESCC.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1C
InChIInChI=1S/C14H19N5O2.C2H6/c1-7(2)11-9(5-8(3)13(18-11)20-4)21-10-6-17-14(16)19-12(10)15;1-2/h5-7H,1-4H3,(H4,15,16,17,19);1-2H3
InChIKeyZSGJFWRUBUXGJC-UHFFFAOYSA-N
XLogP3.29
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 145370745) is ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is CC.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1C.
What is the InChIKey of ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
The InChIKey is ZSGJFWRUBUXGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2.C2H6/c1-7(2)11-9(5-8(3)13(18-11)20-4)21-10-6-17-14(16)19-12(10)15;1-2/h5-7H,1-4H3,(H4,15,16,17,19);1-2H3.
What are the key properties of ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?
ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(6-methoxy-5-methyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 145370745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).