2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine

C19H32N4O2 — CID 75470622

IUPAC2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(NC2CC(C)OC(C)C2)nc1NC1CC(C)OC(C)C1
InChIInChI=1S/C19H32N4O2/c1-11-10-20-19(22-17-8-14(4)25-15(5)9-17)23-18(11)21-16-6-12(2)24-13(3)7-16/h10,12-17H,6-9H2,1-5H3,(H2,20,21,22,23)
InChIKeyNEQPYEBRXHURRH-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.52
Rot. Bonds4

About 2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine

2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine (PubChem CID 75470622) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine
PubChem CID75470622
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(NC2CC(C)OC(C)C2)nc1NC1CC(C)OC(C)C1
InChIInChI=1S/C19H32N4O2/c1-11-10-20-19(22-17-8-14(4)25-15(5)9-17)23-18(11)21-16-6-12(2)24-13(3)7-16/h10,12-17H,6-9H2,1-5H3,(H2,20,21,22,23)
InChIKeyNEQPYEBRXHURRH-UHFFFAOYSA-N
XLogP3.52
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine (CID 75470622) is 2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine is Cc1cnc(NC2CC(C)OC(C)C2)nc1NC1CC(C)OC(C)C1.
What is the InChIKey of 2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is NEQPYEBRXHURRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-11-10-20-19(22-17-8-14(4)25-15(5)9-17)23-18(11)21-16-6-12(2)24-13(3)7-16/h10,12-17H,6-9H2,1-5H3,(H2,20,21,22,23).
What are the key properties of 2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine?
2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 348.49 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2,6-dimethyloxan-4-yl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 75470622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).