[2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol

C20H32N6O2 — CID 174456052

IUPAC[2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol
SMILESCCC(CC)Oc1nc(C)nc(Nc2c(NC)cc(NC)cc2NC)c1CO
InChIInChI=1S/C20H32N6O2/c1-7-14(8-2)28-20-15(11-27)19(24-12(3)25-20)26-18-16(22-5)9-13(21-4)10-17(18)23-6/h9-10,14,21-23,27H,7-8,11H2,1-6H3,(H,24,25,26)
InChIKeyASSQDLYSUAJGRF-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.71
Rot. Bonds10

About [2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol

[2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol (PubChem CID 174456052) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is [2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol
PubChem CID174456052
Molecular FormulaC20H32N6O2
Molecular Weight388.52 g/mol
Exact Mass388.26
IUPAC Name[2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol
SMILESCCC(CC)Oc1nc(C)nc(Nc2c(NC)cc(NC)cc2NC)c1CO
InChIInChI=1S/C20H32N6O2/c1-7-14(8-2)28-20-15(11-27)19(24-12(3)25-20)26-18-16(22-5)9-13(21-4)10-17(18)23-6/h9-10,14,21-23,27H,7-8,11H2,1-6H3,(H,24,25,26)
InChIKeyASSQDLYSUAJGRF-UHFFFAOYSA-N
XLogP3.71
TPSA103.36 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol?
The IUPAC name of [2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol (CID 174456052) is [2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol is CCC(CC)Oc1nc(C)nc(Nc2c(NC)cc(NC)cc2NC)c1CO.
What is the InChIKey of [2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol?
The InChIKey is ASSQDLYSUAJGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-7-14(8-2)28-20-15(11-27)19(24-12(3)25-20)26-18-16(22-5)9-13(21-4)10-17(18)23-6/h9-10,14,21-23,27H,7-8,11H2,1-6H3,(H,24,25,26).
What are the key properties of [2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol?
[2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol has a molecular weight of 388.52 g/mol, XLogP of 3.71, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-pentan-3-yloxy-6-[2,4,6-tris(methylamino)anilino]pyrimidin-5-yl]methanol is sourced from PubChem (CID 174456052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).