5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine

C15H20N4O2 — CID 145284551

IUPAC5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Oc2ccc(OC)cc2C(C)C)c(N)n1
InChIInChI=1S/C15H20N4O2/c1-9(2)11-7-10(20-4)5-6-12(11)21-13-8-18-15(17-3)19-14(13)16/h5-9H,1-4H3,(H3,16,17,18,19)
InChIKeyROMDFRJBOJOFRR-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.02
Rot. Bonds5

About 5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine

5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 145284551) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
PubChem CID145284551
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Oc2ccc(OC)cc2C(C)C)c(N)n1
InChIInChI=1S/C15H20N4O2/c1-9(2)11-7-10(20-4)5-6-12(11)21-13-8-18-15(17-3)19-14(13)16/h5-9H,1-4H3,(H3,16,17,18,19)
InChIKeyROMDFRJBOJOFRR-UHFFFAOYSA-N
XLogP3.02
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine (CID 145284551) is 5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Oc2ccc(OC)cc2C(C)C)c(N)n1.
What is the InChIKey of 5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is ROMDFRJBOJOFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9(2)11-7-10(20-4)5-6-12(11)21-13-8-18-15(17-3)19-14(13)16/h5-9H,1-4H3,(H3,16,17,18,19).
What are the key properties of 5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine?
5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 145284551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).