6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine

C16H22N6O — CID 110135567

IUPAC6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine
SMILESCCN(Cc1ccncc1)CC1(C)Cc2c(N)nc(N)nc2O1
InChIInChI=1S/C16H22N6O/c1-3-22(9-11-4-6-19-7-5-11)10-16(2)8-12-13(17)20-15(18)21-14(12)23-16/h4-7H,3,8-10H2,1-2H3,(H4,17,18,20,21)
InChIKeyNQBMEAPPOHOILF-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.25
Rot. Bonds5

About 6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine

6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 110135567) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine
PubChem CID110135567
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine
SMILESCCN(Cc1ccncc1)CC1(C)Cc2c(N)nc(N)nc2O1
InChIInChI=1S/C16H22N6O/c1-3-22(9-11-4-6-19-7-5-11)10-16(2)8-12-13(17)20-15(18)21-14(12)23-16/h4-7H,3,8-10H2,1-2H3,(H4,17,18,20,21)
InChIKeyNQBMEAPPOHOILF-UHFFFAOYSA-N
XLogP1.25
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine (CID 110135567) is 6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine is CCN(Cc1ccncc1)CC1(C)Cc2c(N)nc(N)nc2O1.
What is the InChIKey of 6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NQBMEAPPOHOILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-3-22(9-11-4-6-19-7-5-11)10-16(2)8-12-13(17)20-15(18)21-14(12)23-16/h4-7H,3,8-10H2,1-2H3,(H4,17,18,20,21).
What are the key properties of 6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine?
6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 314.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methyl-5H-furo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 110135567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).