5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine

C18H20N4O — CID 58826988

IUPAC5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine
SMILESCc1cccc2cc(Oc3cnc(N)nc3N)c(C(C)C)cc12
InChIInChI=1S/C18H20N4O/c1-10(2)13-8-14-11(3)5-4-6-12(14)7-15(13)23-16-9-21-18(20)22-17(16)19/h4-10H,1-3H3,(H4,19,20,21,22)
InChIKeyWNGMPTCBQOMOHL-UHFFFAOYSA-N
MW308.39 g/mol
LogP4.02
Rot. Bonds3

About 5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine

5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine (PubChem CID 58826988) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine
PubChem CID58826988
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine
SMILESCc1cccc2cc(Oc3cnc(N)nc3N)c(C(C)C)cc12
InChIInChI=1S/C18H20N4O/c1-10(2)13-8-14-11(3)5-4-6-12(14)7-15(13)23-16-9-21-18(20)22-17(16)19/h4-10H,1-3H3,(H4,19,20,21,22)
InChIKeyWNGMPTCBQOMOHL-UHFFFAOYSA-N
XLogP4.02
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-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 5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine?
The IUPAC name of 5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine (CID 58826988) is 5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine is Cc1cccc2cc(Oc3cnc(N)nc3N)c(C(C)C)cc12.
What is the InChIKey of 5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine?
The InChIKey is WNGMPTCBQOMOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-10(2)13-8-14-11(3)5-4-6-12(14)7-15(13)23-16-9-21-18(20)22-17(16)19/h4-10H,1-3H3,(H4,19,20,21,22).
What are the key properties of 5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine?
5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine has a molecular weight of 308.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine is sourced from PubChem (CID 58826988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).