4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine

C11H20N4O — CID 80841869

IUPAC4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(COC)C(C)C)ncn1
InChIInChI=1S/C11H20N4O/c1-8(2)9(6-16-4)15-11-5-10(12-3)13-7-14-11/h5,7-9H,6H2,1-4H3,(H2,12,13,14,15)
InChIKeyOTRYPWPWMCSNJV-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.60
Rot. Bonds6

About 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine

4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80841869) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80841869
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(COC)C(C)C)ncn1
InChIInChI=1S/C11H20N4O/c1-8(2)9(6-16-4)15-11-5-10(12-3)13-7-14-11/h5,7-9H,6H2,1-4H3,(H2,12,13,14,15)
InChIKeyOTRYPWPWMCSNJV-UHFFFAOYSA-N
XLogP1.60
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine (CID 80841869) is 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NC(COC)C(C)C)ncn1.
What is the InChIKey of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is OTRYPWPWMCSNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)9(6-16-4)15-11-5-10(12-3)13-7-14-11/h5,7-9H,6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80841869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).