N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

C16H19N3O — CID 6546532

IUPACN-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCc1nc(N[C@@H](C)CC)c2oc3ccccc3c2n1
InChIInChI=1S/C16H19N3O/c1-4-10(3)17-16-15-14(18-13(5-2)19-16)11-8-6-7-9-12(11)20-15/h6-10H,4-5H2,1-3H3,(H,17,18,19)/t10-/m0/s1
InChIKeyGYIWGAHDUBCIRR-JTQLQIEISA-N
MW269.35 g/mol
LogP4.15
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 6546532) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID6546532
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCCc1nc(N[C@@H](C)CC)c2oc3ccccc3c2n1
InChIInChI=1S/C16H19N3O/c1-4-10(3)17-16-15-14(18-13(5-2)19-16)11-8-6-7-9-12(11)20-15/h6-10H,4-5H2,1-3H3,(H,17,18,19)/t10-/m0/s1
InChIKeyGYIWGAHDUBCIRR-JTQLQIEISA-N
XLogP4.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3980878
N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546749
2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4671621
2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 170017001
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 3604273
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol;hydrochloride
CID 24761132
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium
CID 4976806
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 664426
(2R)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 943812
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6602804
N-(3-chloro-4-methoxyphenyl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1401178
2-methyl-N-[(1S)-1-phenylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546765

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 6546532) is N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is CCc1nc(N[C@@H](C)CC)c2oc3ccccc3c2n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is GYIWGAHDUBCIRR-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-10(3)17-16-15-14(18-13(5-2)19-16)11-8-6-7-9-12(11)20-15/h6-10H,4-5H2,1-3H3,(H,17,18,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 6546532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).