N-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine

C20H30N6O2 — CID 24768334

IUPACN-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c1NCCN2c1ccc(OC)nc1OC
InChIInChI=1S/C20H30N6O2/c1-6-8-12-25(7-2)18-17-19(23-14(3)22-18)26(13-11-21-17)15-9-10-16(27-4)24-20(15)28-5/h9-10,21H,6-8,11-13H2,1-5H3
InChIKeyOKRBKOWKTDTHMA-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.39
Rot. Bonds8

About N-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine

N-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine (PubChem CID 24768334) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine.

Molecular Properties

Compound NameN-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine
PubChem CID24768334
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine
SMILESCCCCN(CC)c1nc(C)nc2c1NCCN2c1ccc(OC)nc1OC
InChIInChI=1S/C20H30N6O2/c1-6-8-12-25(7-2)18-17-19(23-14(3)22-18)26(13-11-21-17)15-9-10-16(27-4)24-20(15)28-5/h9-10,21H,6-8,11-13H2,1-5H3
InChIKeyOKRBKOWKTDTHMA-UHFFFAOYSA-N
XLogP3.39
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine?
The IUPAC name of N-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine (CID 24768334) is N-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine.
What is the SMILES notation for N-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine?
The canonical SMILES for N-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine is CCCCN(CC)c1nc(C)nc2c1NCCN2c1ccc(OC)nc1OC.
What is the InChIKey of N-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine?
The InChIKey is OKRBKOWKTDTHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-6-8-12-25(7-2)18-17-19(23-14(3)22-18)26(13-11-21-17)15-9-10-16(27-4)24-20(15)28-5/h9-10,21H,6-8,11-13H2,1-5H3.
What are the key properties of N-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine?
N-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine has a molecular weight of 386.50 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-(2,6-dimethoxy-3-pyridinyl)-N-ethyl-2-methyl-6,7-dihydro-5H-pteridin-4-amine is sourced from PubChem (CID 24768334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).