5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine

C19H27N5O4 — CID 12752264

IUPAC5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCN1CCOCC1
InChIInChI=1S/C19H27N5O4/c1-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-2)17(15)28-8-5-24-3-6-27-7-4-24/h10-12H,3-9H2,1-2H3,(H4,20,21,22,23)
InChIKeyNKLUHWRAYBJOQK-UHFFFAOYSA-N
MW389.46 g/mol
LogP0.96
Rot. Bonds8

About 5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine

5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 12752264) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID12752264
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCN1CCOCC1
InChIInChI=1S/C19H27N5O4/c1-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-2)17(15)28-8-5-24-3-6-27-7-4-24/h10-12H,3-9H2,1-2H3,(H4,20,21,22,23)
InChIKeyNKLUHWRAYBJOQK-UHFFFAOYSA-N
XLogP0.96
TPSA117.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine (CID 12752264) is 5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCN1CCOCC1.
What is the InChIKey of 5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is NKLUHWRAYBJOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-2)17(15)28-8-5-24-3-6-27-7-4-24/h10-12H,3-9H2,1-2H3,(H4,20,21,22,23).
What are the key properties of 5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine?
5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 389.46 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 12752264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).